CAS 726695-51-8 Syk Inhibitor II (HCID 9549296)

기본 정보

CAS: 726695-51-8
표준 SMILES: NCCNc1ncc(C(N)=O)c(Nc2cccc(C(F)(F)F)c2)n1
InChIKey: FQNFLNSVHWCZML-UHFFFAOYSA-N
분자식: C14H15F3N6O
평균 분자량: 340.3 g/mol
단동위원소 질량: 340.12594361

이름 및 식별자

우선 이름: Syk Inhibitor II
IUPAC: 2-(2-aminoethylamino)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
영어명: Syk Inhibitor II
분자식: C14H15F3N6O
분자량: 340.3

이름 및 동의어

Syk Inhibitor II726695-51-8K00592a2-(2-aminoethylamino)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamideDHY3UC4XFH2-((2-Aminoethyl)amino)-4-((3-(trifluoromethyl)phenyl)amino)pyrimidine-5-carboxamideCHEMBL471901Spleen Tyrosine Kinase Inhibitor II2-(2-AMINOETHYL)AMINO-4-3-(TRIFLUOROMETHYL)PHENYLAMINO-2-((2-Aminoethyl)amino)-4-((3-(trifluoromethyl)phenyl)amino)-5-pyrimidinecarboxamide2-(2-Aminoethylamino)-4-(3-(trifluoromethyl)anilino)pyrimidine-5-carboxamide2-[(2-Aminoethyl)amino]-4-[[3-(trifluoromethyl)phenyl]amino]-5-pyrimidinecarboxamide

이름 더 보기

Syk Inhibitor II, 10 mM in DMSOATP-competitive,Serotonin Receptor,antigen,inhibit,Spleen tyrosine kinase,Syk Inhibitor II,Anti-allergic,pyrimidine-carboxamide,Inhibitor,Syk,5-HT Receptor,5-hydroxytryptamine Receptor

2-[(2-aminoethyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrimidine-5-carboxamide5-Pyrimidinecarboxamide, 2-((2-aminoethyl)amino)-4-((3-(trifluoromethyl)phenyl)amino)-5-Pyrimidinecarboxamide, 2-[(2-aminoethyl)amino]-4-[[3-(trifluoromethyl)phenyl]amino]-UNII-DHY3UC4XFHGTPL6047orb1223064orb1302930SCHEMBL1222899

데이터베이스 식별자

CAS: 726695-51-8
PubChem CID: 9549296
ChEMBL: CHEMBL471901
UNII: DHY3UC4XFH

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 119 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 9
회전 가능 결합 수: 6
무거운 원자 수: 24
형식 전하: 0
복잡도: 422

물리화학적 성질

녹는점: 270 · 270-272 °C (decomp)(Solv: water (7732-18-5); ethanol (64-17-5))
끓는 점: 541.6 · 541.6±60.0 °C(Predicted)
밀도: 1.455 · 1.455±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Store at -20°C
용해도: 25 mg/ml; · DMF: 25 mg/ml; DMSO: 15 mg/ml
물리적 상태: 결정성 고체
산도 계수 (pKa): 14.04 · 14.04±0.50(Predicted)
색상: White to off-white

안전 및 규제

안전 데이터

신호 어: Warning

화학 및 산업

공급사29 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

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

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]

Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]

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