(3S,4R)-4-Methyl-3-(methyl-7H-pyrrolo(2,3-d)pyrimidin-4-ylamino)-beta-oxo-1-piperidinepropanenitrile
Grundinformationen
- CAS
1092578-48-7- Standard-SMILES
C[C@@H]1CCN(C(=O)CC#N)C[C@H]1N(C)c1ncnc2[nH]ccc12- InChIKey
UJLAWZDWDVHWOW-DGCLKSJQSA-N- Summenformel
- C16H20N6O
- Durchschnittliche Molmasse
- 312,37 g/mol
- Monoisotopische Masse
- 312,16985928
Namen und Bezeichner
- Bevorzugter Name
- (3S,4R)-4-Methyl-3-(methyl-7H-pyrrolo(2,3-d)pyrimidin-4-ylamino)-beta-oxo-1-piperidinepropanenitrile
- IUPAC
- 3-[(3S,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
- Englischer Name
- 3-((3S,4R)-4-Methyl-3-(Methyl(7H-pyrrolo[2,3-d]pyriMidin-4-yl)aMino)piperidin-1-yl)-3-oxopropanenitrile
- Summenformel
- C16H20N6O
- Molmasse
- 312.3696
Namen und Synonyme
1092578-48-7D2E2X7QH4AEpitofacitinib, (3S,4R)-(3S,4R)-4-Methyl-3-(methyl-7H-pyrrolo(2,3-d)pyrimidin-4-ylamino)-beta-oxo-1-piperidinepropanenitrile(3S,4R)-4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-beta-oxo-1-piperidinepropanenitrileRefChem:1050322(3S,4R)-Tofacitinib3-((3S,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile3-[(3s,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrileCHEMBL459977(3S,4R)-(-)-Tofacitinib isomerMFCD23105686
Weitere Namen anzeigen
1-PiperidinTofacitinib-16Tofatinib Impurity BTofacitinib Impurity 228Tofacitinib Impurity FD+DXYYMGYZDHOQYMFO-DGCLKSJQSA-NTofacitinib Impurity B(3S,4R)Tofacitinib Citrate Impurity 15Azilsartan medoxomil impurity338
C16H20N6O3-[(3S,4R)-4-methyl-3-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]piperidin-1-yl]-3-oxopropanenitrile(3S,4R)-Tofacitinib; 1-Piperidinepropanenitrile, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-ss-oxo-, (3S,4R)-; (3S,4R)-4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-ss-oxo-1-piperidinepropanenitrile; (3S,4R)-Tofacitinib3-{(3S,4R)-4-Methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrileCS-1107KX4SQS6QF6UNII-D2E2X7QH4AEpitofacitinib, (+/-)-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 88,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 488
Physikochemische Eigenschaften
- Dichte
- 1.296 · 1.296
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- Aggregatzustand
- Powder
- pka
- 6.04 · 6.04±0.60(Predicted)
- InChI
- InChI=1/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13-/s3
- InChIKey
- UJLAWZDWDVHWOW-PZILLZCRNA-N
- SMILES
- C(#N)CC(N1CC[C@@H](C)[C@H](N(C)C2=NC=NC3NC=CC=32)C1)=O |&1:7,9,r|
Chemie und Industrie
Anwendungen
Verwenden(3S,4R)-Tofacitinib is an enantiopure stereoisomer of the drug, Janus kinase 3(Jak3) inhibitor (CP-690,550) that has been found to inhibit selected members of the STE7 and STE20 subfamily of kinases.
Anbieter91 Anbieter
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
山东大有药物研发有限公司
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