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Grundinformationen
- Standard-SMILES
Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=S)Nc1c(F)cccc1F- InChIKey
ARIOBGGRZJITQX-UHFFFAOYSA-N- Summenformel
- C15H13F2N7O2S2
- Durchschnittliche Molmasse
- 425,446 g/mol
- Monoisotopische Masse
- 425,0540211
Namen und Bezeichner
- Bevorzugter Name
- Cdk1/2 Inhibitor III
- IUPAC
- 5-Amino-N-(2,6-difluorophenyl)-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbothioamide
- Englischer Name
- CDK1/2InhibitorIII
- Summenformel
- C15H13F2N7O2S2
- Molmasse
- 425.44
Namen und Synonyme
2 Inhibitor IIICDK1/2InhibitorIIICdk-1/2 Inhibitor III,Cdk1/2 Inhibitor III5-amino-N-(2,6-difluorophenyl)-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbothioamide1H-1,2,4-Triazole-1-carbothioamide, 3-amino-5-[[4-(aminosulfonyl)phenyl]amino]-N-(2,6-difluorophenyl)-
Datenbank-Bezeichner
- CAS
443798-47-8、443798-55-8- PubChem CID
- 5330812
- DTXSID
DTXSID60416209- ChEMBL
CHEMBL261720- UNII
- LFR1253W75
- Nikkaji
- J3.743.146J
Eigenschaften
Physikochemische Eigenschaften
- Siedepunkt
- 649.1 · 649.1±65.0 °C(Predicted)
- Dichte
- 1.72 · 1.72±0.1 g/cm3(Predicted)
- storage temp.
- 2 C · +2C to +8C
- Löslichkeit
- 10 mg/mLTHF: · DMSO: 10mg/mLTHF: solubleacetone: soluble
- Aggregatzustand
- White solid
- pka
- 6.61 · 6.61±0.70(Predicted)
- Farbe
- white
- InChI
- 1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)
- InChIKey
- ARIOBGGRZJITQX-UHFFFAOYSA-N
- SMILES
- Fc1c(c(ccc1)F)NC(=S)[n]2nc(nc2N)Nc3ccc(cc3)[S](=O)(=O)N
Sicherheit und Regulatorisches
Sicherheitsdaten
- wgk
- WGK 1
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenCyclin-dependent kinases (Cdks) are key regulators of cell cycle progression and are therefore promising targets for cancer therapy. Cdk1/2 Inhibitor III is a cell-permeable inhibitor of Cdk1/cyclin B and Cdk2/cyclin A (IC50s = 0.6 and 0.5 nM, respectively). It less potently inhibits CDC2-like kinases 1 and 3, VEGFR2, and GSK-3β (IC50s = 8.9, 29, 32, and 140 nM, respectively) and is without effect against a panel of other kinases. Cdk1/2 Inhibitor III blocks the growth of several cancer cell lines (IC50 values range from 20 to 92 nM).
Anbieter17 Anbieter
陕西科贝莱药物研发有限公司13119135307 · [email protected]
Aladdin Scientific[email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
河南伊诺凯新材料有限公司15670530983 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
BOC Sciences16314854226 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
陕西萃康医药科技有限公司13186333400 19299362551 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
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