2432994-31-3 (PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE, N-[3-(DIFLUOROMETHYL)-1-[TRANS-4-[[4-[[3-[1-(2,6-DIOXO-3-PI,KT-474)

CAS号:
2432994-31-3
中文名称:
PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE, N-[3-(DIFLUOROMETHYL)-1-[TRANS-4-[[4-[[3-[1-(2,6-DIOXO-3-PI
英文名称:
KT-474
分子式:
C44H49F2N11O6
分子量:
865.926775693893
简介:
PROTAC IRAK4 degrader-7 (Compound I-417) 是一种具有口服活性的 PROTAC IRAK4 降解剂,具有抗肿瘤效果。

PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE, N-[3-(DIFLUOROMETHYL)-1-[TRANS-4-[[4-[[3-[1-(2,6-DIOXO-3-PI(2432994-31-3)名称与标识符

名称

中文别名:
PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE, N-[3-(DIFLUOROMETHYL)-1-[TRANS-4-[[4-[[3-[1-(2,6-DIOXO-3-PI;N-[3-(二氟甲基)-1-[反式-4-[[4-[3-[1-(2,6-二氧代-3-哌啶基)-2,3-二氢-3-甲基-2-氧代-1H-苯并咪唑-4-基]-2-丙炔-1-基]氧基]-1-哌啶基]甲基]环己基]-1H-吡唑-4-基]-5-(1R,4R)-2-氧杂-5-氮杂双环[2.2.1]庚-5-基吡唑并[1,5-A]嘧啶-3-甲酰胺;
英文别名:
Pyrazolo[1,5-a]pyrimidine-3-carboxamide, N-[3-(difluoromethyl)-1-[trans-4-[[4-[[3-[1-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-3-methyl-2-oxo-1H-benzimidazol-4-yl]-2-propyn-1-yl]oxy]-1-piperidinyl]methyl]cyclohexyl]-1H-pyrazol-4-yl]-5-(1R,4R)-2-oxa-5-azabicyclo[2.2.1]hept-5-yl-;PROTAC IRAK4 degrader-7;KT-474;SAR444656;2SXR65P7E3;KYM-001;EX-A8217;HY-145483;2432994-31-3;GTPL12892;KT-I-417;KT474;GLXC-27930;SAR-444656;Compound A [WO2022174269A1];N-[3-(Difluoromethyl)-1-[trans-4-[[4-[[3-[1-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-3-methyl-2-oxo-1H-benzimidazol-4-yl]-2-propyn-1-yl]oxy]-1-piperidinyl]methyl]cyclohexyl]-1H-pyrazol-4-yl]-5-(1R,4R)-2-oxa-5-azabicyclo[2.2.1]hept-5-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;SCHEMBL25986139;CS-0374973;SCHEMBL21998241;N-[3-(Difluoromethyl)-1-[4-[[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]prop-2-ynoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;AT41570;PYRAZOLO(1,5-A)PYRIMIDINE-3-CARBOXAMIDE, N-(3-(DIFLUOROMETHYL)-1-(TRANS-4-((4-((3-(1-(2,6-DIOXO-3-PIPERIDINYL)-2,3-DIHYDRO-3-METHYL-2-OXO-1H-BENZIMIDAZOL-4-YL)-2-PROPYN-1-YL)OXY)-1-PIPERIDINYL)METHYL)CYCLOHEXYL)-1H-PYRAZOL-4-YL)-5-(1R,4R)-2-OXA-5-AZABICYCLO(2.2.1)HEPT-5-YL-;GLXC-26797;SCHEMBL23807243;KT-474?;5-((1R,4R)-2-Oxa-5-azabicyclo[2.2.1]heptan-5-yl)-N-(3-(difluoromethyl)-1-((1r,4R)-4-((4-((3-(1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-4-yl)prop-2-yn-1-yl)oxy)piperidin-1-yl)methyl)cyclohexyl)-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;DA-77150;

标识符

InChIKey:
NQGKNAVUMAHSQN-KDRPOVOJSA-N
Inchi:
1S/C44H49F2N11O6/c1-52-39-27(4-2-6-34(39)57(44(52)61)35-11-12-37(58)50-43(35)60)5-3-19-62-30-13-16-53(17-14-30)22-26-7-9-28(10-8-26)56-24-33(38(51-56)40(45)46)48-42(59)32-21-47-55-18-15-36(49-41(32)55)54-23-31-20-29(54)25-63-31/h2,4,6,15,18,21,24,26,28-31,35,40H,7-14,16-17,19-20,22-23,25H2,1H3,(H,48,59)(H,50,58,60)/t26-,28-,29-,31-,35?/m1/s1
SMILES:
C12=C(C(NC3=CN([C@@H]4CC[C@@H](CN5CCC(OCC#CC6=C7C(=CC=C6)N(C6CCC(=O)NC6=O)C(=O)N7C)CC5)CC4)N=C3C(F)F)=O)C=NN1C=CC(N1C[C@@]3([H])C[C@]1([H])CO3)=N2

PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE, N-[3-(DIFLUOROMETHYL)-1-[TRANS-4-[[4-[[3-[1-(2,6-DIOXO-3-PI(2432994-31-3)物化性质

计算特性

  • 精确分子量 : 865.38353465g/mol
  • 氢键供体数量 : 2
  • 氢键受体数量 : 13
  • 可旋转化学键数量 : 11
  • 同位素质量 : 865.38353465g/mol
  • 重原子数量 : 63
  • 复杂度 : 1790
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 2
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.5
  • 拓扑分子极性表面积 : 172Ų

PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE, N-[3-(DIFLUOROMETHYL)-1-[TRANS-4-[[4-[[3-[1-(2,6-DIOXO-3-PI(2432994-31-3)推荐厂家 更多厂家(4)