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Cytarabine Hydrochloride

HCID 6252
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
69-74-9
표준 SMILES
Cl.Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
InChIKey
KCURWTAZOZXKSJ-JBMRGDGGSA-N
분자식
C9H13N3O5.ClH
평균 분자량
279.68 g/mol
단동위원소 질량
279.06219823

개요

Crystals (from aqueous ethanol) or fluffy white powder. (NTP, 1992)

이름 및 식별자

우선 이름
Cytarabine Hydrochloride
IUPAC
4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
영어명
1-beta-D-Arabinofuranosylcytosine hydrochloride
분자식
C9H14ClN3O5
분자량
279.68

이름 및 동의어

CYTARABINE HYDROCHLORIDE69-74-9Cytosine arabinoside hydrochlorideCytarabine HCl1-beta-D-Arabinofuranosylcytosine hydrochlorideCytosar hydrochlorideSpongocytidine hydrochlorideArabitin hydrochlorideAracytidine hydrochlorideU-19920AIretinDTXSID5024891
이름 더 보기
ARA-Cac1075ALEXANCylocideAra-c.HaCytarbineARA-C HCL
Aracytin hydrochlorideNSC-6387833K3DB65911-beta-D-Arabinofuranosylcytosine monohydrochlorideArabinosylcytosine hydrochlorideDTXCID104891Arabinofuranosylcytosine hydrochloride2(1H)-Pyrimidinone, 4-amino-1-beta-D-arabinofuranosyl-, monohydrochloride

데이터베이스 식별자

CAS
69-74-9
PubChem CID
6252
DTXSID
DTXSID5024891
ChEMBL
CHEMBL1256472
UNII
33K3DB6591

물성

구조 계산 물성

극성 표면적
129 Ų
수소 결합 공여자 수
5
수소 결합 수용자 수
5
회전 가능 결합 수
2
무거운 원자 수
18
형식 전하
0
복잡도
383

실험 및 물리화학적 성질

Solubility · 2건

greater than or equal to 100 mg/mL at 63 °F (NTP, 1992)

>42 [ug/mL] (The mean of the results at pH 7.4)

Human DrugsBreast Feeding; Lactation; Milk, Human; Antimetabolites, Antineoplastic; Immunosuppressive Agents; Nucleosides
Melting Point356 to 360 °F (NTP, 1992)
Physical DescriptionCrystals (from aqueous ethanol) or fluffy white powder. (NTP, 1992)

물리화학적 성질

녹는점
197 · 197-198 °C(lit.)
저장 조건
2 · 2-8°C
용해도
14.2 mg/mL · insoluble in EtOH; ≥14.2 mg/mL in DMSO; ≥64.2 mg/mL in H2O
물리적 상태
수정 같은
색상
흰색에서 황백색까지
생물학적 소스
synthetic (inorganic)
안정성
안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
InChI
InChI=1/C9H13N3O5.ClH/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8;/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16);1H/t4-,6-,7+,8-;/s3
InChIKey
KCURWTAZOZXKSJ-XKIMMOKZSA-N

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P203, P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P318, P321, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 12-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21560
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health Hazards · 1건

SYMPTOMS: Symptoms of exposure to this compound include leukopenia, thrombocytopenia, anemia, megaloblastosis, hepatic dysfunction, thromobophlebitis at the site of injection, and conjunctivitis. Other symptoms include potent bone marrow suppression, reduced reticulocytes, anorexia, nausea, vomiting, diarrhea, oral and anal inflammation or ulceration, fever, rash, bleeding (all sites), sepsis, pneumonia, cellulitis at injection site, skin ulceration, urinary retention, renal dysfunction, neuritis, neural toxicity, sore throat, esophageal ulceration, esophagitis, chest pain, bowel necrosis, abdominal pain, freckling, jaundice, dizziness, alopecia, allergic edema, anaphylaxis, pruritus, shortness of breath, urticaria and headache. "Flu-like" syndrome may occur. Joint pains may also occur. Eye irritation has been reported. Other eye effects include reversible glittering opacities, pain, punctuate epithelial keratitis and photophobia.

Reactive GroupAlcohols and Polyols
Reactivity ProfileCYTARABINE HYDROCHLORIDE undergoes decomposition in acidic solutions.

화학 및 산업

약리 정보

Metabolism/MetabolitesHepatic.
MeSH Pharmacological Classification · 3건

Antimetabolites that are useful in cancer chemotherapy.

Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.

Agents that suppress immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-CELLS or by inhibiting the activation of HELPER CELLS. While immunosuppression has been brought about in the past primarily to prevent rejection of transplanted organs, new applications involving mediation of the effects of INTERLEUKINS and other CYTOKINES are emerging.

용도 및 제조

UsesFor the treatment of acute non-lymphocytic leukemia, acute lymphocytic leukemia and blast phase of chronic myelocytic leukemia.

응용 분야

용도Antiviral.

일반 설명Crystals (from aqueous ethanol) or fluffy white powder.

상·하류 제품 정보

상류 원료

Electrophoresis에틸알코올란타넘 수산화물(란탄 수산화물)아라비노실시토신

관련 반응

4건
반응 기록 만들기
HRID 858365 반응식
HRID 858365생성물로uspto-grants-2006_12
HRID 859116 반응식
HRID 859116생성물로uspto-grants-2006_12
HRID 1781981 반응식
HRID 1781981생성물로uspto-grants-2009_03
HRID 1987727 반응식
HRID 1987727생성물로uspto-grants-2009_06

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
EC Number
200-713-9
SMILES
N1([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)C=CC(N)=NC1=O.[H]Cl |&1:1,3,6,8,r|
EPA
Cytarabine hydrochloride (69-74-9)

화학적 성질

Crystalline

Air and Water ReactionsWater soluble. Hydrolysis occurs readily, especially with acid.
Hazard Classes and CategoriesSkin Sens. 1 (100%)

안전 및 보호

Fire FightingFires involving this material may 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

Exposure RoutesLess than 20% of the orally administered dose is absorbed from the gastrointestinal tract.
Toxicity Summary · 1건

Cytarabine acts through direct DNA damage and incorporation into DNA. Cytarabine is cytotoxic to a wide variety of proliferating mammalian cells in culture. It exhibits cell phase specificity, primarily killing cells undergoing DNA synthesis (S-phase) and under certain conditions blocking the progression of cells from the G1 phase to the S-phase. Although the mechanism of action is not completely understood, it appears that cytarabine acts through the inhibition of DNA polymerase. A limited, but significant, incorporation of cytarabine into both DNA and RNA has also been reported.

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Toxicity DataCytarabine syndrome may develop - it is characterized by fever, myalgia, bone pain, occasionally chest pain, maculopapular rash, conjunctivitis, and malaise.

안전 데이터

wgk
3
rtecs
HA5500000
독성
LD50 oral in rat: > 3200mg/kg
HS 번호
29389090
risk_code
36-43-63
hazard_code
Xn
safety_code
26-36/37
위험 등급
IRRITANT
기존화학 물질
KE-01895
Hazard Classifications
Eye Irrit. 2Muta. 2Repr. 2Skin Sens. 1
스토리지 클래스
11 - Combustible Solids
시틴딘
수산화나트륨
Ancitabine
암모니아(가스)
메틸알콜
염산

공급사100 곳

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