기본 정보
- CAS
50903-99-6- 표준 SMILES
COC(=O)[C@@H](N)CCCN=C(N)N[N+](=O)[O-]- InChIKey
KCWZGJVSDFYRIX-YFKPBYRVSA-N- 분자식
- C7H15N5O4
- 평균 분자량
- 233.23 g/mol
- 단동위원소 질량
- 233.11240398
개요
N(gamma)-nitro-L-arginine methyl ester is an alpha-amino acid ester that is the methyl ester of Ngamma-nitro-L-arginine. It has a role as an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is a methyl ester, a N-nitro compound, an alpha-amino acid ester and a L-arginine derivative. It is a conjugate base of a N(gamma)-nitro-L-arginine methyl ester(1+).
이름 및 식별자
- 우선 이름
- NG-nitro-L-arginine methyl ester
- IUPAC
- methyl (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoate
- 현지명
- NG-니트로아르기닌메틸에스테르
- 영어명
- NG-Nitroarginine Methyl Ester
- 분자식
- C7H15N5O4
- 분자량
- 233.23
이름 및 동의어
L-NAMENG-NITROARGININE METHYL ESTER50903-99-6N(G)-Nitro-L-arginine methyl esterN-Nitroarginine methyl esterNg-nitro-L-arginine methyl esterN(G)-Nitroarginine methyl esterV55S2QJN2Xn-nitro-arginine methyl esterN(5)-(Imino(nitroamino)methyl)-L-ornithine methyl estermethyl (2S)-2-amino-5-(1-nitrocarbamimidamido)pentanoateNG Nitroarginine Methyl Ester
이름 더 보기
NG-니트로아르기닌메틸에스테르ω-Nitroarginine methylη-Nitroarginine methylNG-Nitroarginine methylη-Nitro-L-arginine methylNG-Nitroarginine methyl ester, 10 mM in DMSON5-[Imino(nitroamino)methyl]-L-ornithine methyl esterL-Ornithine, N5-[iMino(nitroaMino)Methyl]-, Methyl esterNGNitroarginine methyl ester,NG Nitroarginine methyl ester
methyl (2S)-2-amino-5-((amino(nitramido)methylene)amino)pentanoatemethyl (2S)-2-amino-5-[[amino(nitramido)methylene]amino]pentanoateMethyl Ester, NG-NitroarginineNG Nitro L Arginine Methyl EsterMethyl Ester, NG-Nitro-L-ArginineN omega Nitro L arginine Methyl EsterN omega-Nitro-L-arginine Methyl EsterRefChem:389146
데이터베이스 식별자
- CAS
50903-99-6- PubChem CID
- 39836
- ChEMBL
CHEMBL7890- ChEBI
CHEBI:7549- UNII
- V55S2QJN2X
- Nikkaji
- J264.830J
물성
구조 계산 물성
- XLogP
- -1
- 극성 표면적
- 149 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 274
물리화학적 성질
- 끓는 점
- 375.47 °C · 375.47°C (rough estimate)
- 밀도
- 1.3521 · 1.3521 (rough estimate)
- 굴절률
- 1.8 · 1.8000 (estimate)
- 산도 계수 (pKa)
- 3.83 · 3.83±0.50(Predicted)
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
공급사7 곳
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
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上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
추가 설명
정의ChEBI: An alpha-amino acid ester that is the methyl ester of Ngamma-nitro-L-arginine.
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