기본 정보
- CAS
3031-95-6- 표준 SMILES
Nc1c(C(=O)N[C@@H](CC(=O)O)C(=O)O)ncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O- InChIKey
NAQGHJTUZRHGAC-ZZZDFHIKSA-N- 분자식
- C13H19N4O12P
- 평균 분자량
- 454.28 g/mol
- 단동위원소 질량
- 454.07370868
개요
SAICAR is a 1-(phosphoribosyl)imidazolecarboxamide resulting from the formal condesation of the darboxy group of 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid with the amino group of L-aspartic acid. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is functionally related to a succinic acid. It is a conjugate acid of a SAICAR(4-).
이름 및 식별자
- 우선 이름
- Saicar
- IUPAC
- (2S)-2-[[5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carbonyl]amino]butanedioic acid
- 영어명
- (2S)-2-[[5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carbonyl]amino]butanedioic acid
- 분자식
- C13H19N4O12P
- 분자량
- 454.28
이름 및 동의어
SAICAR3031-95-6Succino-AICARK1PVR64RIFDTXSID901844045-Amino-4-imidazole-N-succinocarboxamide ribonucleotide5'-Phosphoribosyl-4-(N-succinylcarboxamide)-5-aminoimidazoleCHEBI:183191-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazoleN-((5-Amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazol-4-yl)carbonyl)-L-aspartic acidN-(5-Amino-1-beta-D-ribofuranosylimidazole-4-carbonyl)-L-aspartic acid 5'-phosphate1-(5'-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole
이름 더 보기
5-Aminoimidazole-4-N-succinocarboxamide ribonucleotide5'-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazoleN-Succinyl-5-aMinoiMidazole-4-carboxaMide Ribose 5'-PhosphateN-Succinyl-5-aminoimidazole-4-carboxamide Ribose 5’-PhosphateN-[[5-Amino-1-(5-O-phosphono-β-D-ribofuranosyl)-1H-imidazol-4-yl]carbonyl]-L-aspartic acidN-[[5-Amino-1-(5-O-phosphono-b-D-ribofuranosyl)-1H-imidazoL-4-yl]carbonyl]-L-aspartic acid
물성
구조 계산 물성
- XLogP
- -4.3
- 극성 표면적
- 264 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 718
실험 및 물리화학적 성질
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 189 °C · >189°C (dec.)
- 밀도
- 2.18 · 2.18±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- 용해도
- 메탄올(약간 용해됨), 물(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 1.86 · 1.86±0.10(Predicted)
- 색상
- 흰색에서 황백색까지
- 생물학적 소스
- synthetic
- 안정성
- 흡습성
- 주요 응용
- 대사체학
- InChIKey
- NAQGHJTUZRHGAC-ZZZDFHIKSA-N
- SMILES
- NC1=C(N=CN1[C@H]2[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)O2)C(N[C@@H](CC(O)=O)C(O)=O)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
독성 정보
Health EffectsChronically high levels of SAICAR are associated with Adenylosuccinate Lyase Deficiency.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Tissue LocationsFibroblasts
Metabolite PathwaysAdenine phosphoribosyltransferase deficiency (APRT)
용도 및 제조
UsesThis is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.
응용 분야
용도N-Succinyl-5-aminoimidazole-4-carboxamide Ribose 5’-Phosphate is a metabolite of Purine. Since adenosine is a potent inhibitor of neuronal function, depressing the release of several excitatory transmitters and causing direct hyperpolarization of neurons, it was possible that the symptoms seen in adenylosuccinate lyase (ASase) deficient patients could reflect an interference of succinylpurines with neurotransmission.
공급사11 곳
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
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