기본 정보
- CAS
2446803-65-0- 표준 SMILES
Cc1n[nH]c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)cc1- InChIKey
CQKVACARDGYEMU-VWLOTQADSA-N- 분자식
- C27H34N6O2
- 평균 분자량
- 474.6 g/mol
- 단동위원소 질량
- 474.27432435
이름 및 식별자
- 우선 이름
- IL-17 modulator 4
- IUPAC
- N-[(2S)-1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
- 영어명
- 1H-Pyrazole-5-carboxamide, N-[(1S)-2,2-dicyclopropyl-1-[[[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]amino]carbonyl]ethyl]-1-(1-methylethyl)-
- 분자식
- C27H34N6O2
- 분자량
- 474.6
이름 및 동의어
IL-17 modulator 42446803-65-0CHEMBL5194116N-[(1S)-2,2-Dicyclopropyl-1-[[[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]amino]carbonyl]ethyl]-1-(1-methylethyl)-1H-pyrazole-5-carboxamide(S)-N-(1,1-Dicyclopropyl-3-((4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl)amino)-3-oxopropan-2-yl)-1-isopropyl-1H-pyrazole-5-carboxamideLEO PPImLEO-PPImorb1693655SCHEMBL22143897GTPL12046GLXC-25946CVN03650
이름 더 보기
IL-17 modulator 23CVN03650(IL-17 modulator 4)IL17 modulator 4,IL 17 modulator 4N-[(1S)-1-(dicyclopropylmethyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-isopropyl-pyrazole-3-carboxamide(2S)-3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-{[1-(propan-2-yl)-1H-pyrazol-5-yl]formamido}propanamide1H-Pyrazole-5-carboxamide, N-[(1S)-2,2-dicyclopropyl-1-[[[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]amino]carbonyl]ethyl]-1-(1-methylethyl)-
EX-A8158BDBM50597429AKOS040755314CVN03650(IL-17 modulator 4)?compound 23 [PMID: 35767390]DA-54267MS-28812HY-141692
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 105 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 749
물리화학적 성질
- 끓는 점
- 754.2 · 754.2±60.0 °C(Predicted)
- 밀도
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 12.86 · 12.86±0.46(Predicted)
- 색상
- Off-white to gray
화학 및 산업
공급사20 곳
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
Aladdin Scientific[email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
InvivoChem中国13549236410 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海楼岚生物科技有限公司021-52996696，15000506266 15000506266
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [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]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
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