기본 정보
- CAS
1652591-80-4- 표준 SMILES
Cn1c(-c2nc3cc(C(=O)N4CCCC(N)C4)ccc3n2C)cc2ccccc21.O=C(O)C(F)(F)F- InChIKey
CUCLWQZRCAQPJM-UHFFFAOYSA-N- 분자식
- C25H26F3N5O3
- 평균 분자량
- 501.5 g/mol
- 단동위원소 질량
- 501.19877419
이름 및 식별자
- 우선 이름
- (3-aminopiperidin-1-yl)(1-methyl-2-(1-methyl-1H-indol-2-yl)-1H-benzo[d]imidazol-5-yl)methanone 2,2,2-trifluoroacetate
- IUPAC
- (3-aminopiperidin-1-yl)-[1-methyl-2-(1-methylindol-2-yl)benzimidazol-5-yl]methanone;2,2,2-trifluoroacetic acid
- 영어명
- GSK121 (trifluoroacetate salt)
- 분자식
- C25H26F3N5O3
- 분자량
- 501.51
이름 및 동의어
1652591-80-4GSK121GSK121 trifluoroacetate(3-aminopiperidin-1-yl)(1-methyl-2-(1-methyl-1H-indol-2-yl)-1H-benzo[d]imidazol-5-yl)methanone 2,2,2-trifluoroacetate(3-aminopiperidin-1-yl)-[1-methyl-2-(1-methylindol-2-yl)benzimidazol-5-yl]methanone;2,2,2-trifluoroacetic acid(3-Amino-1-piperidinyl)[1-methyl-2-(1-methyl-1H-indol-2-yl)-1H-benzimidazol-5-yl]-methanoneTrifluoroaceticAcidSalt(3-Aminopiperidin-1-yl)(1-methyl-2-(1-methyl-1H-indol-2-yl)-1H-benzo[d]imidazol-5-yl)methanone trifluoroacetic acid salt1-[1-methyl-2-(1-methyl-1H-indol-2-yl)-1H-1,3-benzodiazole-5-carbonyl]piperidin-3-amine; trifluoroacetic acidGSK-121 Trifluoroacetateorb1218674orb1305526SCHEMBL30201457
이름 더 보기
GSK121, 10 mM in DMSOProtein Arginine Deiminase,GSK121,inhibit,Peptidylarginine Deiminase,Inhibitor(3-aminopiperidin-1-yl)-[1-methyl-2-(1-methylindol-2-yl)benzimidazol-5-yl]methanone(3-Amino-1-piperidinyl)[1-methyl-2-(1-methyl-1H-indol-2-yl)-1H-benzimidazol-5-yl]-methanone TFA Salt
물성
구조 계산 물성
- 극성 표면적
- 106 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 698
물리화학적 성질
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml; PBS (pH 7.2): 10 mg/ml
- 물리적 상태
- 결정성 고체
- 색상
- Light brown to brown
화학 및 산업
응용 분야
용도(3-Amino-1-piperidinyl)[1-methyl-2-(1-methyl-1H-indol-2-yl)-1H-benzimidazol-5-yl]-methanone Trifluoroacetic Acid Salt is an inhibitor for protein arginine deiminase 4 (PAD4), which has been implicated in the pathogenesis of autoimmune and cardiovascular diseases.
공급사34 곳
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Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
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BOC Sciences1-631-485-4226; 16314854226 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
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