Chem
J-GLOBAL ID:201707008445860259
Nikkaji number:J3.596.755I
MK-5108
4α-(3-クロロ-2-フルオロフェノキシ)-1-[[6-[(チアゾール-2-イル)アミノ]ピリジン-2-イル]メチル]シクロヘキサン-1β-カルボン酸
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C22 H21 ClFN3 O3 S
Molecular formula furigana:
C22-H21-CL-F-N3-O3-S
Molecular weight:
461.940
InChI:
InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15-,22-
InChI key:
LCVIRAZGMYMNNT-VVONHTQRSA-N
SMILES:
OC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc1cccc(Cl)c1F
Systematic name (4):
4β-(3-クロロ-2-フルオロフェノキシ)-1-[[6-[(チアゾール-2-イル)アミノ]ピリジン-2-イル]メチル]シクロヘキサン-1α-カルボン酸
4α-(3-クロロ-2-フルオロフェノキシ)-1-[[6-[(チアゾール-2-イル)アミノ]ピリジン-2-イル]メチル]シクロヘキサン-1β-カルボン酸
(1r,4r)-4-(3-クロロ-2-フルオロフェノキシ)-1-({6-[(1,3-チアゾール-2-イル)アミノ]ピリジン-2-イル}メチル)シクロヘキサン-1-カルボン酸
(1r,4r)-4-(3-chloro-2-fluorophenoxy)-1-({6-[(1,3-thiazol-2-yl)amino]pyridin-2-yl}methyl)cyclohexane-1-carboxylic acid
Other name (3):
4β-(3-Chloro-2-fluorophenoxy)-1-[[6-[(thiazole-2-yl)amino]pyridine-2-yl]methyl]cyclohexane-1α-carboxylic acid
4α-(3-Chloro-2-fluorophenoxy)-1-[[6-[(thiazole-2-yl)amino]pyridine-2-yl]methyl]cyclohexane-1β-carboxylic acid
MK-5108
CAS registry number:
1010085-13-8
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