Pictilisib Bismesylate

HCID 56972143

기본 정보

CAS: 957054-33-0
표준 SMILES: CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.CS(=O)(=O)O.CS(=O)(=O)O
InChIKey: RFRIKACSFOTIMU-UHFFFAOYSA-N
분자식: C25H35N7O9S4
평균 분자량: 705.9 g/mol
단동위원소 질량: 705.13791041

개요

Pictilisib Bismesylate is the orally bioavailable bismesylate salt of pictilisib, a small molecule inhibitor of class I phosphatidylinositol 3 kinase (PI3K), with potential antineoplastic activity. Upon administration, pictilisib selectively binds to PI3K in an ATP-competitive manner, inhibiting the production of the secondary messenger phosphatidylinositol-3,4,5-trisphosphate (PIP3) and activation of the PI3K/Akt signaling pathway. This may result in inhibition of tumor cell growth, motility and survival in susceptible tumor cell populations. Activation of the PI3K/Akt signaling pathway is frequently associated with tumorigenesis; dysregulated PI3K/Akt signaling may contribute to tumor resistance to a variety of antineoplastic agents.

이름 및 식별자

우선 이름: Pictilisib Bismesylate
IUPAC: 4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine;methanesulfonic acid
영어명: GDC-0941 Bimesylate
분자식: C24H30N7O6S3
분자량: 608.7333

이름 및 동의어

GDC-0941 dimesylatePictilisib bismesylatePictilisib dimesylateG3D7HF2GS9UNII-G3D7HF2GS9GDC-0941 BismesylateThieno(3,2-d)pyrimidine, 2-(1H-indazol-4-yl)-6-((4-(methylsulfonyl)-1-piperazinyl)methyl)-4-(4-morpholinyl)-, methanesulfonate (1:2)Thieno[3,2-d]pyrimidine, 2-(1H-indazol-4-yl)-6-[[4-(methylsulfonyl)-1-piperazinyl]methyl]-4-(4-morpholinyl)-, methanesulfonate (1:2)2-(1H-indazol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno(3,2-d)pyrimidine, bimesylate salt2-(1H-indazol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine, bimesylate saltRefChem:174205957054-33-0

이름 더 보기

Pictilisib mesylatePictilisib (GDC-0941)GDC-0941 (2 MeSO3H salt)GDC 0941 (2 MeSO3H salt)GDC-0941 Bimesylate USP/EP/BPGDC-0941 BiMesylate/pictilisib

GDC-0941 dimethanesulfonateGDC-0941 BimesylatePictilisib (dimethanesulfonate)Pictilisib dimethanesulfonateGDC-0941 (dimethanesulfonate)GDC 0941 bimesylate4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine;methanesulfonic acid4-(2-(1H-indazol-4-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno[3,2-d]pyrimidin-4-yl)morpholine dimethanesulfonate

데이터베이스 식별자

CAS: 957054-33-0
PubChem CID: 56972143
DTXSID: DTXSID301375093
ChEMBL: CHEMBL4097197
UNII: G3D7HF2GS9

물성

구조 계산 물성

극성 표면적: 270 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 16
회전 가능 결합 수: 5
무거운 원자 수: 45
형식 전하: 0
복잡도: 924

물리화학적 성질

녹는점: 280 °C · >280°C (dec.)
저장 조건: Refrigerator
용해도: DMSO(약간 가열), 메탄올(적게)에 용해됨
물리적 상태: 고체
색상: 흰색에서 연한 노란색

화학적 성질

Off-White Solid

화학 및 산업

응용 분야

용도Potent inhibitor of Phosphatidylinositol 3-kinase (PI3K)

공급사59 곳

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

苏州奥佰医药科技有限公司1483287082 19962651230 · [email protected]

上海波以尔化工有限公司[email protected]

United Life Science020-82099279 18988941402 · [email protected]

InvivoChem中国13549236410 · [email protected]

화합물 노트

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