1-(4-Chlorophenyl)-N-[3-cyano-4-[4-(4-morpholinyl)-1-piperidinyl]phenyl]-5-methyl-1H-pyrazole-4-carboxamide

HCID 22227931

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 288250-47-5
표준 SMILES: Cc1c(C(=O)Nc2ccc(N3CCC(N4CCOCC4)CC3)c(C#N)c2)cnn1-c1ccc(Cl)cc1
InChIKey: BWZNJVZTAWBIFG-UHFFFAOYSA-N
분자식: C27H29ClN6O2
평균 분자량: 505 g/mol
단동위원소 질량: 504.2040519

이름 및 식별자

우선 이름: 1-(4-Chlorophenyl)-N-[3-cyano-4-[4-(4-morpholinyl)-1-piperidinyl]phenyl]-5-methyl-1H-pyrazole-4-carboxamide
IUPAC: 1-(4-chlorophenyl)-N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-5-methylpyrazole-4-carboxamide
영어명: Y320
분자식: C27H29ClN6O2
분자량: 505.01

이름 및 동의어

1-(4-Chlorophenyl)-N-(3-cyano-4-(4-(4-morpholinyl)-1-piperidinyl)phenyl)-5-methyl-1H-pyrazole-4-carboxamide1-(4-Chlorophenyl)-N-[3-cyano-4-[4-(4-morpholinyl)-1-piperidinyl]phenyl]-5-methyl-1H-pyrazole-4-carboxamideRefChem:425329288250-47-5Y-3201-(4-Chlorophenyl)-N-(3-cyano-4-(4-morpholinopiperidin-1-yl)phenyl)-5-methyl-1H-pyrazole-4-carboxamideY320MFCD280998031-(4-chlorophenyl)-N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-5-methylpyrazole-4-carboxamide1H-Pyrazole-4-carboxamide, 1-(4-chlorophenyl)-N-[3-cyano-4-[4-(4-morpholinyl)-1-piperidinyl]phenyl]-5-methyl-1-(4-CHLOROPHENYL)-N-{3-CYANO-4-[4-(MORPHOLIN-4-YL)PIPERIDIN-1-YL]PHENYL}-5-METHYLPYRAZOLE-4-CARBOXAMIDEC27H29ClN6O2

이름 더 보기

Y 320Y-320, >=98%Y-320 ，S7516Y-320, 10 mM in DMSO1-(4-Chlorophenyl)-N-(3-cyano-4-(4-morpholinopiperidin-1-yl)phenyl)-5-methyl-1H-pyrazole-4-car1-(4-Chlorophenyl)-N-[3-cyano-4-(4-morpholino-1-piperidyl)phenyl]-5-methylpyrazole-4-carboxamide1-(4-Chlorophenyl)-N-(3-cyano-4-(4-morpholinopiperidin-1-yl)phenyl)-5-methyl-1H-pyrazole-4-carboxami

1-(4-Chlorophenyl)-N-(3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl)-5-methylpyrazole-4-carboxamide1H-Pyrazole-4-carboxamide, 1-(4-chlorophenyl)-N-(3-cyano-4-(4-(4-morpholinyl)-1-piperidinyl)phenyl)-5-methyl-1-(4-chlorophenyl)-N-[3-cyano-4-(4-morpholinopiperidin-1-yl)phenyl]-5-methylpyrazole-4-carboxamideorb1225422orb1307339SCHEMBL6052244CHEMBL4303340SCHEMBL31303184

데이터베이스 식별자

CAS: 288250-47-5
PubChem CID: 22227931
DTXSID: DTXSID101031899
ChEMBL: CHEMBL4303340
UNII: 82S7NR4B46
EC Number: 878-936-1

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 86.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 5
무거운 원자 수: 36
형식 전하: 0
복잡도: 784

물리화학적 성질

끓는 점: 631.2 · 631.2±55.0 °C(Predicted)
밀도: 1.34 · 1.34±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 24.8 mg/mL · ≥24.8 mg/mL in DMSO with gentle warming; insoluble in H2O; insoluble in EtOH
물리적 상태: 고체
산도 계수 (pKa): 11.82 · 11.82±0.70(Predicted)
색상: Off-white to pink
InChIKey: BWZNJVZTAWBIFG-UHFFFAOYSA-N
SMILES: N#CC1=CC(NC(C2=C(C)N(C3=CC=C(C=C3)Cl)N=C2)=O)=CC=C1N4CCC(CC4)N5CCOCC5

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: WGK 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도1-(4-Chlorophenyl)-N-(3-cyano-4-(4-morpholinopiperidin-1-yl)phenyl)-5-methyl-1H-pyrazole-4-carboxamide inhibits T cell activation induced by IL-15 and shows a therapeutic effect on collagen-induced arthritis in DBA/1J mice.

공급사66 곳

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]

浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

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