홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /화합물

사르코신

Sarcosine

HCID 1088
새 노트새 반응견적 요청하기
인쇄 미리보기

데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다

기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
107-97-1
표준 SMILES
CNCC(=O)O
InChIKey
FSYKKLYZXJSNPZ-UHFFFAOYSA-N
분자식
C3H7NO2
평균 분자량
89.09 g/mol
단동위원소 질량
89.04767847

개요

Deliquescent crystals or powder. Has a sweetish taste. (NTP, 1992)

이름 및 식별자

우선 이름
Sarcosine
IUPAC
2-(methylamino)acetic acid
현지명
사르코신
영어명
Sarcosine
분자식
C3H7NO2
분자량
89.09

이름 및 동의어

sarcosine107-97-1N-methylglycine2-(methylamino)acetic acidSarcosinic acidMethylglycineGlycine, N-methyl-N-Methylaminoacetic acidSarcosinMethylaminoacetic acid(Methylamino)acetic acid(Methylamino)ethanoic acid
이름 더 보기
사르코신사코신SarH-SAR-OHSAR-OHN-ME-GLY-OHMethyl-glycocollH-MEGLY-OHCH3NHCH2COOH
Acetic acid, (methylamino)-(methylamino)acetateDTXSID1047025CHEBI:15611Methylaminoethanoic acidZ711V88R5FN MethylglycineSarcosylate, Magnesium

데이터베이스 식별자

CAS
107-97-1、25951-24-0、68411-97-2
PubChem CID
1088
DTXSID
DTXSID1047025
ChEMBL
CHEMBL304383
ChEBI
CHEBI:15611
UNII
Z711V88R5F
EC Number
203-538-6
Nikkaji
J5.067I

물성

구조 계산 물성보충 중

XLogP
-2.8
극성 표면적
49.3 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
6
형식 전하
0
복잡도
52.8

실험 및 물리화학적 성질

Chemical ClassesBiological Agents -> Amino Acids and Derivatives
DrugsPharmaceuticals -> Listed in ZINC15
Cosmetics · 4건

Cosmetic ingredients (Coco-Betaine) -> CIR (Cosmetic Ingredient Review)

Cosmetic ingredients (Cocoyl Sarcosine) -> CIR (Cosmetic Ingredient Review)

Personal care product

Surfactant; Cleansing; Skin conditioning; Foam boosting

LogP-2.78
Solubility · 3건

greater than or equal to 100 mg/mL at 61 °F (NTP, 1992)

300.0 mg/mL

5.6 [ug/mL] (The mean of the results at pH 7.4)

Melting Point · 2건

406 °F (Decomposes) (NTP, 1992)

208 °C

Vapor Pressure0.00000017 [mmHg]
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description · 3건

Deliquescent crystals or powder. Has a sweetish taste. (NTP, 1992)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 98.7% (149 of 151) of all reports.

Not Classified

Aggregated GHS information provided per 151 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: Glycine, N-methyl-

REACH registered substance: Sarcosine (EC: 203-538-6)

Glycine, N-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Hazards SummaryCauses analgesia in acute intravenous studies of mice; [RTECS] May cause irritation; [Alfa Aesar MSDS]
Reactive GroupAcids, Carboxylic
Reactivity Profile · 1건

SARCOSINE is an amide. Amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx). This chemical is incompatible with acids. (NTP, 1992).

Air and Water ReactionsDeliquescent. Water soluble.

화학 및 산업

약리 정보

Metabolism/Metabolites · 2건

Acyl sarcosines can be absorbed following oral or dermal contact, while nitrosamines can enter the body via ingestion, inhalation, or dermal contact. Once in the body, nitrosamines are metabolized by cytochrome P-450 enzymes, which essentially activates them into carcinogens. Sarcosine is metabolized to glycine by the enzyme sarcosine dehydrogenase. (A2878, A2879, L1892)

Sarcosine is metabolized to glycine by the enzyme sarcosine dehydrogenase, while glycine-N-methyl transferase generates sarcosine from glycine.

Tissue LocationsProstate
Cellular LocationsExtracellular
Metabolite Pathways3-Phosphoglycerate dehydrogenase deficiency

용도 및 제조

Uses · 5건

CIR ingredient: Coco-Betaine

CIR ingredient: Cocoyl Sarcosine

Used as an intermediate in synthesis of toothpaste antienzyme agents; [Merck Index] An amino acid intermediate in the metabolism of choline. [ChemIDplus] Used to make antienzyme agents for cosmetics and pharmaceuticals; [NTP]

Acyl sarcosines are used as hair-conditioning agents and surfactant-cleansing agents in cosmetics, as well as to improve wetting and penetration of topical pharmaceutical products. Acyl sarcosines and their sodium salts are also used in the metal finishing and processing industries for their crystal modifying, anti-rust, and anti-corrosion properties. (A2881)

Sarcosine can be used as a cognitive enhancer and to treat schizophrenia.

Household ProductsInformation on 14 consumer products that contain Cocobetaine in the following categories is provided:
Use ClassificationCosmetics -> Surfactant; Cleansing; Skin conditioning; Foam boosting
General Manufacturing Information

관련 반응

724건
반응 기록 만들기
HRID 19465 반응식
HRID 19465반응물로uspto-grants-2010_06
HRID 49740 반응식
HRID 49740반응물로uspto-grants-2004_03
HRID 54921 반응식
HRID 54921반응물로uspto-grants-1997_04
HRID 67243 반응식
HRID 67243반응물로uspto-grants-1982_08
HRID 67244 반응식
HRID 67244반응물로uspto-grants-1982_08
HRID 67246 반응식
HRID 67246반응물로uspto-grants-1982_08
HRID 67290 반응식
HRID 67290반응물로uspto-grants-1982_08
HRID 67303 반응식
HRID 67303반응물로uspto-grants-1982_08
1 / 91 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기

Deliquescent solid; [Merck Index] Cream-colored hygroscopic solid; [NTP] White odorless crystalline powder; Hygroscopic; [Alfa Aesar MSDS]

Solid

물리화학적 성질

녹는점
208 · 208-212 °C (dec.)(lit.)
끓는 점
165.17 °C · 165.17°C (rough estimate)
밀도
1.1948 · 1.1948 (rough estimate)
굴절률
1.4368 · 1.4368 (estimate)
인화점
100 ℃ · >100℃
저장 조건
30 °C · Store below +30°C.
용해도
2 O: · H2O: 1 M at 20 °C
산도 계수 (pKa)
2.21 · 2.21(at 25℃)
물리적 상태
결정 또는 분말
색상
무색 또는 흰색에서 노란색까지
수소이온지수(pH)
6.1 · 6.1 (100g/l, H2O, 20℃)
수용성
1480 g/L · 1480g/L(20℃)
Merck
14 · 14,8373
BRN
1699442 · 1699442
주요 응용
펩타이드 합성
화장품 원료 기능
피부 컨디셔닝
InChI
1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
InChIKey
FSYKKLYZXJSNPZ-UHFFFAOYSA-N
SMILES
CNCC(O)=O
NIST
Sarcosine(107-97-1)
EPA
Sarcosine (107-97-1)
CAS Number Unlabeled
107 · 107-97-1

화학적 성질

White crystalline powder

Hazard Classes and CategoriesNot Classified

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

독성 정보

Treatment · 1건

Acute Exposure: EYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. INHALATION: supply fresh air. If required provide artificial respiration.

Health Effects · 2건

Acyl sarcosines may cause irritation to the skin and eyes. They may also react to produce N-nitrososarcosine, which is believed to be carcinogenic. (A2881)

Acute Exposure: Can lead to eye and skin irritation. Chronic Exposure: High levels of sarcosine in prostate tissues are associated with aggressive prostate tumors. In this regard, sarcosine appears to function as an oncometabolite. High levels of sarcosine are also seen in patients with sarcosinemia. Sarcosinemia is a rare inborn error of metabolism that is characterized by an increased level of sarcosine (N-methylglycine) in the plasma and urine. The enzymatic block results from a deficiency of sarcosine dehydrogenase (SarDH), a liver mitochondrial matrix enzyme that converts sarcosine into glycine. The disease is mostly characterized by mental delay, cardiomyopathy, deafness and visual disturbance.

Exposure Routes · 2건

Oral (A2881) ; inhalation (A2881) ; dermal (A2881)

Endogenous, Eye contact, Ingestion.

Toxicity Summary · 6건

The CIR Expert Panel concluded that the eleven alkyl betaines listed below are safe in the present practices of use and concentration in cosmetics, when formulated to be non-irritating...Coco-Betaine...

Safe for use in cosmetics, with qualifications

The CIR Expert Panel concluded that the following ingredients are safe as used in cosmetics when formulated to be non-irritating. The Expert Panel cautions that these ingredients should not be used in cosmetic products in which N-nitroso compounds can be found...Cocoyl Sarcosine...

Safe for use in cosmetics, with qualifications

While acyl sarcosines themselves are not toxic, they are nitrosating agents. Nitrosating agents may decompose and/or react to cause nitrosamine contamination. Nitrosamines are produced from secondary amines and amides in the presence of nitrite ions and are believed to be carcinogenic. The particular nitrosamine produced by acyl sarcosines is N-nitrososarcosine. Once in the body, nitrosamines are activated by cytochrome P-450 enzymes. They are then believed to induce their carcinogenic effects by forming DNA adducts at the N- and O-atoms. (L1889, L1890, A2878, A2879, A2880, A2881)

Sarcosine is an oncometabolite. Sarcosine appears to upregulate the expression of the potent oncoprotein called human epidermal growth factor receptor 2 (HER2/neu) in androgen-dependent prostate cancer cells upon exposure to exogenous sarcosine. Thus, sarcosine may induce prostate cancer progression by increased HER2/neu expression.

Signs and Symptoms · 2건

Acyl sarcosines may cause irritation to the skin and eyes. (A2881)

Acute Exposure: eye irritation and skin irritation Chronic Exposure: sarcosinemia is associated with mental delay, cardiomyopathy, deafness and visual disturbance. In individuals with prostate cancer, high prostate tissue levels of sarcosine promote aggressive, rapidly growing prostate tumors.

Carcinogen Classification · 2건

No indication of carcinogenicity (not listed by IARC). (L135)

Not listed by IARC. Has been implicated in oncogenesis (A15089).

Toxicity Data · 2건

LD50: 2.1 g/kg (Oral, Mouse) (A2881)

NA

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
VQ2897000
HS 번호
29224995
risk_code
36/37/38
hazard_code
Xi
safety_code
24/25-36-26
기존화학 물질
KE-24123
F 고인화성물질
3
스토리지 클래스
11 - Combustible Solids
Glycine, N-methyl-: ACTIVE
응용 분야 · 3건

용도Sarcosine can improve people's intelligence, especially for exams such as the students need to temporarily increase the effectiveness of intelligence is more obvious. sarcosine can increase muscle strength and anaerobic explosiveness.To prevent damage caused by the brain injury. Sarcosine can effectively improve athletic performance,power, and shorten muscle recovery time.

용도Sarcosine is an important component for the production of the amino acid glycine and a byproduct of glycine breakdown. In the body, it is produced by converting dietary choline to glycine or breaking down methionine into glycine. It can also be synthesized in the laboratory with chloroacetic acid and methylamine. Sarcosine has a unique mild sweetness. Since a derivative of creatine helps prevent tooth decay and causes foam, it acts as an ingredient in toothpaste. Sarcosine can also be used as a drug, and research over the past 20 years has revealed its role in treating mental health disorders such as schizophrenia and depression.

일반 설명Deliquescent crystals or powder. Has a sweetish taste.

상·하류 제품 정보

상류 원료

사포닌글리실글리신사르코신메틸에스테르

하류 제품

2-(4-chlorop henyl)-4,5-dihydro-1-methyl-5-(trifluoromethyl)-1H-pyr role-3-carbonitrileTenoxicamTOLRESTATN-메틸아미노촨나트륨4-CHLORO-ALPHA-(METHYLAMINO)BENZENE ACETIC ACIDcorrosion inhibitor HS-13Octadecylamine N-oleoyl SarcosinateFlumazenilcyanic acid사르코신-N-디티오카바메이트염화수소화 사르코신 터셔리-부틸 에스테르FMOC-SARCOSINE MONOHYDRATE디메티오닌2-[Methyl(2-phenylacetyl)amino]acetic acid
추가 설명 · 1건

정의ChEBI: Sarcosine is a N-alkylglycine that is the N-methyl derivative of glycine. It is an intermediate in the metabolic pathway of glycine. It has a role as a glycine transporter 1 inhibitor, a glycine receptor agonist, a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a N-alkylglycine, a N-methyl-amino acid and a member of N-methylglycines. It is a conjugate base of a sarcosinium. It is a conjugate acid of a sarcosinate. It is a tautomer of a sarcosine zwitterion.