기본 정보
- CAS
189684-50-2- 표준 SMILES
CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C- InChIKey
GGXRLUDNGFFUKI-ORGXJRBJSA-N- 분자식
- C26H34N6O13
- 평균 분자량
- 638.6 g/mol
- 단동위원소 질량
- 638.21838516
개요
a colorimetric substrate for assaying caspase-3 activity
이름 및 식별자
- 우선 이름
- Acetyl-aspartyl-glutamyl-valyl-aspartic acid p-nitroanilide
- IUPAC
- (4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-3-carboxy-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
- 영어명
- (4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-3-carboxy-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
- 분자식
- C26H34N6O13
- 분자량
- 638.58
이름 및 동의어
Acetyl-aspartyl-glutamyl-valyl-aspartic Acid P-nitroanilideRefChem:914981Ac-DEVD-pNAAc-Asp-Glu-Val-Asp-PNAN-Acetyl-Asp-Glu-Val-Asp p-nitroanilideMFCD00792707(4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-3-carboxy-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acidAc-D-E-V-D-PNAZ-VDVAD-pNA?orb321472orb525756N-Acetyl-Asp-Glu-Val-Asp-pna
이름 더 보기
N-acetyl-L-α-aspartyl-L-α-glutamyl-L-valyl-N-(4-nitrophenyl)-L-α-asparagineL-α-Asparagine, N-acetyl-L-α-aspartyl-L-α-glutamyl-L-valyl-N-(4-nitrophenyl)-N-Acetyl-L-alpha-aspartyl-L-alpha-glutamyl-L-valyl-N-(4-nitrophenyl)-L-alpha-asparagine(4S,7S,10S,13S)-7-(2-carboxyethyl)-4-(carboxymethyl)-10-isopropyl-13-((4-nitrophenyl)carbamoyl)-2,5,8,11-tetraoxo-3,6,9,12-tetraazapentadecan-15-oic acid
orb3133170SCHEMBL2028887GGXRLUDNGFFUKI-ORGXJRBJSA-NAc-DEVD-pNA(Caspase-3 Substrate)?HY-W338079N-acetyl-asp-glu-val-asp-p-nitroanilideBP-23537CS-0449396
물성
구조 계산 물성
- XLogP
- -1.4
- 극성 표면적
- 303 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,150
물리화학적 성질
- 녹는점
- 179 · 179-184 °C
- 끓는 점
- 1187 · 1187.0±65.0 °C(Predicted)
- 밀도
- 1.448 · 1.448±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 1 · Acetonitrile:Methanol (1:1): 1 mg/ml
- 물리적 상태
- 결정성 고체
- 산도 계수 (pKa)
- 4.03 · 4.03±0.10(Predicted)
화학 및 산업
응용 분야
개요During apoptosis, activated caspase-3 cleaves several substrates, including poly(ADP-ribose) polymerase, which it specifically targets at the amino sequence DEVD. Ac-DEVD-pNA is a para-nitro aniline chromophore cleaved by caspases (Km = 18, 11, 32, 180, and 12 μM for caspases-1, -3, -4, -6, and -7, respectively). It is not cleaved by caspase-2. Cleavage is monitored colorimetrically at 405 nm.
공급사14 곳
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
太原百利恒康生物技术有限公司19135651983 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
康明永瑞生物科技（苏州）有限公司17751201929; 17751201929 · [email protected]
杭州贝普泰生物医药有限公司0571-85350119 13305819357 · [email protected]
杭州固拓生物科技有限公司0571-88211921 17357109671 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
浙江杰坤生物科技有限公司
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