Chemical Compound

(1S,4aR,6aS,7R,8R,10aR,10bR,12aR,14R,15R)-15-[[(2R)-2-amino-2,3,3-trimethylbutyl]oxy]-8-[(1R)-1,2-dimethylpropyl]-14-[5-(4-pyridinyl)-1H-1,2,4-triazol-1-yl]-1,6,6a,7,8,9,10,10a,10b,11,12,12a-dodecahydro-1,6a,8,10a-tetramethyl-4H-1,4a-propano-2H-phenanthro[1,2-c]pyran-7-carboxylic acid

CAS Registry Number 1207753-03-4
返回搜索 申请报价
(1S,4aR,6aS,7R,8R,10aR,10bR,12aR,14R,15R)-15-[[(2R)-2-amino-2,3,3-trimethylbutyl]oxy]-8-[(1R)-1,2-dimethylpropyl]-14-[5-(4-pyridinyl)-1H-1,2,4-triazol-1-yl]-1,6,6a,7,8,9,10,10a,10b,11,12,12a-dodecahydro-1,6a,8,10a-tetramethyl-4H-1,4a-propano-2H-phenanthro[1,2-c]pyran-7-carboxylic acid 结构式
Primary record

(1S,4aR,6aS,7R,8R,10aR,10bR,12aR,14R,15R)-15-[[(2R)-2-amino-2,3,3-trimethylbutyl]oxy]-8-[(1R)-1,2-dimethylpropyl]-14-[5-(4-pyridinyl)-1H-1,2,4-triazol-1-yl]-1,6,6a,7,8,9,10,10a,10b,11,12,12a-dodecahydro-1,6a,8,10a-tetramethyl-4H-1,4a-propano-2H-phenanthro[1,2-c]pyran-7-carboxylic acid

库存
5,752 克
纯度
98.1 %
CAS
1207753-03-4

化合物标识与属性

CAS
1207753-03-4
PubChem CID
46871657
SMILES
C[C@H](C(C)C)[C@]1(CC[C@@]2([C@H]3CC[C@H]4[C@]5(COC[C@]4(C3=CC[C@]2([C@@H]1C(=O)O)C)C[C@H]([C@@H]5OC[C@@](C)(C(C)(C)C)N)N6C(=NC=N6)C7=CC=NC=C7)C)C)C
Canonical SMILES
CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(COC[C@@]4(C)[C@@H](OC[C@](C)(N)C(C)(C)C)[C@H](n4ncnc4-c4ccncc4)C5)C3=CC[C@@]2(C)[C@@H]1C(=O)O

名称与同义词

  • Ibrexafungerp
  • brexafemme
  • ibrexafungerpum
  • Enfumafungin
  • SCY-078
  • Ibrexafungerp [USAN]
  • MK-3118
  • Ibrexafungerp citrate
  • A92JFM5XNU
  • Ibrexafungerp (USAN)
  • RefChem:56932
  • MK-3118 FREE BASE
  • UNII-A92JFM5XNU
  • 1207753-03-4
  • D0GW6Q
  • IBREXAFUNGERP [INN]
  • IBREXAFUNGERP [WHO-DD]
  • MK3118
  • DTXSID901336871
  • orb1699944
  • SCHEMBL3479266
  • SCY078
  • CHEMBL4297513
  • MK 3118
  • SCY 078
  • BODYFEUFKHPRCK-ZCZMVWJSSA-N
  • DTXCID401767166
  • GLXC-15579
  • GLXC-23265
  • EX-A7291
  • WHO 10597
  • XH1529
  • AKOS032946516
  • DB12471
  • Enfumafungin (antifungal), Merck & Co
  • HY-107126
  • CS-0027375
  • NS00072897
  • D11544
  • A947363
  • Q27273787
  • Triterpene glycoside analogs (antifungal), Merck & Co
  • Enfumafungin analogs (antifungal), Merck & Co/SCYNEXIS
  • (1R,5S,6R,7R,10R,11R,14R,15S,20R,21R)-21-[(2R)-2-amino-2,3,3-trimethylbutoxy]-5,7,10,15-tetramethyl-7-[(2R)-3-methylbutan-2-yl]-20-(5-pyridin-4-yl-1,2,4-triazol-1-yl)-17-oxapentacyclo[13.3.3.01,14.02,11.05,10]henicos-2-ene-6-carboxylic acid
  • Antifungal compounds (1,3 beta glucan synthase inhibitors), Merck/SCYNEXIS
  • (1R,5S,6R,7R,10R,11R,14R,15S,16R,17R)-16-{[(2R)-2-amino-2,3,3-trimethylbutyl]oxy}-5,7,10,15-tetramethyl-7-[(2R)-3-methylbut-2-yl]-17-[5-(pyridin-4-yl)-1,2,4-triazol-1-yl]-20-oxapentacyclo[13.3.3.01,14.02,11.05,10]henicos-2(3)-ene-6-carboxylic acid
  • (1R,5S,6R,7R,10R,11R,14R,15S,20R,21R)-21-((2R)-2-amino-2,3,3-trimethylbutoxy)-5,7,10,15-tetramethyl-7-((2R)-3-methylbutan-2-yl)-20-(5-pyridin-4-yl-1,2,4-triazol-1-yl)-17-oxapentacyclo(13.3.3.01,14.02,11.05,10)henicos-2-ene-6-carboxylic acid
  • (1S,4AR,6AS,7R,8R,10AR,10BR,12AR,14R,15R)-15-((2R)- 2-AMINO-2,3,3-TRIMETHYLBUTOXY)-1,6A,8,10A-TETRAMETHYL-8- ((2R)-3-METHYLBUTAN-2-YL)-14-(5-(PYRIDIN-4-YL)-1H-1,2,4- TRIAZOL-1-YL)-1,6,6A,7,8,9,10,10A,10B,11,12,12A-DODECAHYDRO-2H,4H-1,4A-PROPANOPHENANTHRO(1,2-C)PYRAN-7-CARBOXYLIC ACID
  • (1S,4aR,6aS,7R,8R,10aR,10bR,12aR,14R,15R)-15-[(2R)-2-Amino-2,3,3-trimethylbutoxy]-8-[(1R)-1,2-dimethylpropyl]-1,6,6a,7,8,9,10,10a,10b,11,12,12a-dodecahydro-1,6a,8,10a-tetramethyl-14-[5-(4-pyridinyl)-1H-1,2,4-triazol-1-yl]-4H-1,4a-propano-2H-phenanthro[1,2-c]pyran-7-carboxylic acid
  • (1S,4aR,6aS,7R,8R,10aR,10bR,12aR,14R,15R)-15-[[(2R)-2-amino-2,3,3-trimethylbutyl]oxy]-8-[(1R)-1,2-dimethylpropyl]-14-[5-(4-pyridinyl)-1H-1,2,4-triazol-1-yl]-1,6,6a,7,8,9,10,10a,10b,11,12,12a-dodecahydro-1,6a,8,10a-tetramethyl-4H-1,4a-propano-2H-phenanthro[1,2-c]pyran-7-carboxylic acid
  • 4H-1,4A-PROPANO-2H-PHENANTHRO(1,2-C)PYRAN-7-CARBOXYLIC ACID, 15-((2R)-2-AMINO-2,3,3-TRIMETHYLBUTOXY)-8-((1R)-1,2-DIMETHYLPROPYL)-1,6,6A,7,8,9,10,10A,10B,11,12,12A-DODECAHYDRO-1,6A,8,10A-TETRAMETHYL-14-(5-(4-PYRIDINYL)-1H-1,2,4-TRIAZOL-1-YL)-, (1S,4AR,6AS,7R,8R,10AR,10BR,12AR,14R,15R)-