Nadide (HCID 5892)｜Huagongshe

이름 및 식별자

우선 이름: Nadide
IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
현지명: 니코틴아미드아데닌 디뉴클레오티드
영어명: β-Nicotinamide adenine dinucleotide
분자식: C21H27N7O14P2
분자량: 663.43

이름 및 동의어

nadide53-84-9coenzyme Ibeta-NADCodehydrogenase ICodehydrase Inicotinamide adenine dinucleotidediphosphopyridine nucleotideCozymase Ibeta-Diphosphopyridine nucleotideEnzoprideCOZYMASE

이름 더 보기

니코틴아마이드아데닌디뉴클레오티드니코틴아미드아데닌디뉴클레오티드약호NAD.니코틴아마이드아데닌디뉴클레오티드니코틴아마이드아데닌다이뉴클레오타이드NADβ-NADbeta-Nicotinamide adenine dinucleotideDPNB-NADβ-nicotinamide adenine dinucleotide hydratecozymaseibeta-diphosphopyridine

NadidumNicotinamide-adenine dinucleotidecodehydrogenaseNadidaPyridine, nucleotide diphosphateAdenine-nicotinamide dinucleotideNicotineamide adenine dinucleotideNadidum [INN-Latin]

데이터베이스 식별자

CAS: 53-84-9、64417-72-7
PubChem CID: 5892
DTXSID: DTXSID2045236
ChEMBL: CHEMBL1234613
ChEBI: CHEBI:44215
UNII: 0U46U6E8UK
EC Number: 200-184-4、264-884-1
Nikkaji: J136.554A

물성

구조 계산 물성

XLogP: -6
극성 표면적: 321 Å²
수소 결합 공여자 수: 7
수소 결합 수용자 수: 18
회전 가능 결합 수: 11
무거운 원자 수: 44
형식 전하: 0
복잡도: 1,120

실험 및 물리화학적 성질

Solubility752.5 mg/mL

Melting Point140.0 - 142.0 °C

Physical Description · 2건

Highly hygroscopic white solid; [Merck Index] White powder; [Sigma-Aldrich MSDS]

Solid

Collision Cross Section · 3건

222.7 Å² [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；230.8 Å² [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；223.8 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；227.5 Å² [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

226.7 Å² [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

227 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점: 140 · 140-142 °C (decomp)
저장 조건: -20 °C · -20°C
용해도: 2 O: · H2O: 50 mg/mL
물리적 상태: 가루
산도 계수 (pKa): 5.25 · 5.25
색상: 하얀색
수소이온지수(pH): 3 · ~3.0 (50mg/mL in water)
냄새: 냄새 없는
생물학적 소스: yeast
수용성: 50 mg/ml의 · 50mg/ml의 물에 용해됨
Merck: 14 · 14,6344
BRN: 3584133 · 3584133
안정성: 안정적인. 흡습성. 강한 산화제와 호환되지 않습니다.
주요 응용: 대사체학
화장품 원료 기능: 피부 컨디셔닝
InChIKey: BAWFJGJZGIEFAR-WWRWIPRPSA-N
SMILES: NC1=NC=NC2=C1N=CN2.O[C@@H]3[C@@H](COP(O)(OP(OC[C@@H](O4)[C@@H](O)[C@@H](O)[C@H]4[N+]5=CC=CC(C(N)=O)=C5)([O-])=O)=O)OC[C@@H]3O
EPA: 5 · Adenosine 5'-(trihydrogen diphosphate), P'.fwdarw.5'-ester with 3-(aminocarbonyl)-1-.beta.-D-ribofuranosylpyridinium, inner salt (53-84-9)

화학적 성질

β-Nicotinamide adenine dinucleotide is a hygroscopic white powder. It should be stored desiccated. Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Recommended storage temperature -20°C.

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 99.1% (114 of 115) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 114 of 115 companies (only 0.9% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 115 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 114 of 115 reports by companies.；There is 1 notification provided by 1 of 115 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 3건

Chemical: Adenosine 5'-(trihydrogen diphosphate), 5'.fwdarw.5'-ester with 3-(aminocarbonyl)-1-.beta.-D-ribofuranosylpyridinium hydroxide, inner salt

Status: Active Update: 11-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10862

Adenosine 5'-(trihydrogen diphosphate), P'â5'-ester with 3-(aminocarbonyl)-1-.beta.-D-ribofuranosylpyridinium, inner salt: 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

Hazard Classes and CategoriesNot Classified

규제 정보

Regulatory Information · 3건

Chemical: Adenosine 5'-(trihydrogen diphosphate), 5'.fwdarw.5'-ester with 3-(aminocarbonyl)-1-.beta.-D-ribofuranosylpyridinium hydroxide, inner salt

Status: Active Update: 11-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10862

Adenosine 5'-(trihydrogen diphosphate), P'â5'-ester with 3-(aminocarbonyl)-1-.beta.-D-ribofuranosylpyridinium, inner salt: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: UU3450000
HS 번호: 29349990
risk_code: 36-68/20/21/22-20/21/22-40-22
hazard_code: Xn,F,Xi
safety_code: 36-26-36/37-24/25
기존화학 물질: KE-25879
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Tissue LocationsAdrenal Gland；Brain；Epidermis；Fibroblasts；Liver；Placenta；Platelet；Prostate；Skeletal Muscle

Cellular LocationsEndoplasmic reticulum；Extracellular；Mitochondria；Nucleus；Peroxisome

Metabolite Pathways · 1건

11-beta-hydroxylase deficiency (CYP11B1)；17-alpha-hydroxylase deficiency (CYP17)；17-Beta Hydroxysteroid Dehydrogenase III Deficiency；2-aminoadipic 2-oxoadipic aciduria；2-Hydroxyglutric Aciduria (D And L Form)；2-ketoglutarate dehydrogenase complex deficiency；2-Methyl-3-Hydroxybutryl CoA Dehydrogenase Deficiency；21-hydroxylase deficiency (CYP21)；27-Hydroxylase Deficiency；3-Beta-Hydroxysteroid Dehydrogenase Deficiency；Total 46223 pathways, visit the HMDB page for details

용도 및 제조

Uses · 1건

A biologically active form of nicotinic acid; [Merck Index] A coenzyme composed of ribosylnicotinamide 5'-diphosphate coupled to adenosine 5'-phosphate by pyrophosphate linkage. It is found widely in nature and is involved in numerous enzymatic reactions in which it serves as an electron carrier by being alternately oxidized (NAD+) and reduced (NADH). (Dorland, 27th ed) [ChemIDplus]

General Manufacturing InformationAdenosine 5'-(trihydrogen diphosphate), P'.fwdarw.5'-ester with 3-(aminocarbonyl)-1-.beta.-D-ribofuranosylpyridinium, inner salt: ACTIVE

응용 분야 · 5건

개요니코틴아마이드 아데닌 다이뉴클레오타이드는 모든 살아있는 세포에서 발견되는 보조 인자이다. 니코틴아마이드 아데닌 다이뉴클레오타이드는 인산기를 통해 결합된 두 개의 뉴클레오타이드로 구성되어 있기 때문에 다이뉴클레오타이드라고 불린다. 뉴클레오타이드 중 하나는 아데닌 핵염기를 가지고, 다른 하나는 니코틴아마이드를 가지고 있다. 니코틴아마이드 아데닌 다이뉴클레오타이드는 산화형과 환원형의 두 가지 형태로 존재하며, 산화형은 NAD+, 환원형은 NADH로 약칭된다.

용도물질대사에서 니코틴아마이드 아데닌 다이뉴클레오타이드는 산화환원 반응에 관여하며, 한 반응에서 다른 반응으로 전자를 전달한다. 따라서 니코틴아마이드 아데닌 다이뉴클레오타이드는 세포에서 두 가지 형태로 발견된다. NAD+는 산화제로서 다른 분자로부터 전자를 받아서 환원된다. 환원된 NAD+는 NADH가 되어 전자를 공여할 수 있는 환원제로 사용될 수 있다. 이러한 전자전달 반응은 니코틴아마이드 아데닌 다이뉴클레오타이드의 주요 기능이다. 또한 이것은 다른 세포 과정에서도 사용되며, 특히 번역 후 변형에서 단백질로부터 작용기를 추가하거나 제거하는 효소들의 기질에 사용된다. 이러한 기능의 중요성 때문에 NAD 대사에 관여하는 효소들은 신약 개발의 표적이 된다.

개요β-Nicotinamide adenine dinucleotide (NAD+) plays a major role in metabolism as a cofactor and mobile electron acceptor. NAD+ is a required oxidizing cosubstrate for many enzymes. It is reduced to NADH (Cat# N-035) which carries electrons to the electron transport chain for subsequent oxidative phorphorylation and ATP production. NAD+ is capable of donating ADP-ribose moieties to a protein, producing nicotinamide in the process. Sirtuin enzymes use NAD+ as a substrate to deacetylate proteins and direct activity between the nucleus and mitochondria. NAD+ is regenerated by fermentation and by oxidative phosphorylation.

역사β-Nicotinamide adenine dinucleotide was first discovered by British biochemists Arthur Harden and William John Young in 1906. They observed that the addition of boiled and filtered yeast extract significantly increased the rate of alcoholic fermentation in unboiled yeast extracts. They named the unidentified factor responsible for this effect a coferment. By extensively purifying it from yeast extracts, Hans von Euler-Chelpin identified this heat-stable factor as a nucleotide sugar phosphate. In 1936, German scientist Otto Heinrich Warburg demonstrated the role of this nucleotide coenzyme in hydride transfer and determined the nicotinamide portion as the site of redox reactions. Vitamin precursors of NAD+ were first identified in 1938, when Conrad Elvehjem showed that liver has an "anti-black tongue" activity in the form of nicotinamide. Then, in 1939, he provided the first strong evidence that niacin is used to synthesize NAD+.

일반 설명β-Nicotinamide adenine dinucleotide (NAD) is a ubiquitously found electron carrier and a cofactor. NAD+ contains an adenylic acid and a nicotinamide-5′-ribonucleotide group linked together by a pyrophosphate moiety. In NAD+ complexes, the enzyme-cofactor interactions are highly conserved.

상·하류 제품 정보

상류 원료

하류 제품

CADP-리보스 NADPH

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

苏州华赛生物工程技术有限公司0512-89581819; 18915732708 · [email protected]

추가 설명 · 1건

정의ChEBI: β-Nicotinamide adenine dinucleotide (NAD) is the oxidized form of β-Nicotinamide Adenine Dinucleotide. It exists as an anion under normal physio-logic conditions. It is functionally related to a deamido-NAD zwitterion. It is a conjugate base of a NAD(+). It is found widely in nature and is involved in numerous enzymatic reactions in which it serves as an electron carrier by being alternately oxidized (NAD+) and reduced (NADH). (Dorland, 27th ed)

연결된 노트

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니코틴아미드아데닌 디뉴클레오티드

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