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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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Also known as: 1103500-20-4, Ly2562175, Ly-2562175, Vva2zdv3lx, Tern-101, Chembl3746388

Molecular Formula

C₂₈H₂₇Cl₂N₃O₄

Molecular Weight

540.4 g/mol

InChI Key

RPVDFHPBGBMWID-UHFFFAOYSA-N

FDA UNII

VVA2ZDV3LX

TERN-101 is under investigation in clinical trial NCT04328077 (LIFT Study: A Safety, Tolerability, Efficacy, and Pharmacokinetics Study of TERN-101 in Subjects With Non-cirrhotic Non-alcoholic Steatohepatitis (NASH)).

1 2D Structure

TERN-101

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-methylindole-3-carboxylic acid

2.1.2 InChI

InChI=1S/C28H27Cl2N3O4/c1-32-14-20(28(34)35)19-8-7-17(13-24(19)32)33-11-9-18(10-12-33)36-15-21-26(31-37-27(21)16-5-6-16)25-22(29)3-2-4-23(25)30/h2-4,7-8,13-14,16,18H,5-6,9-12,15H2,1H3,(H,34,35)

2.1.3 InChI Key

RPVDFHPBGBMWID-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1C=C(C2=C1C=C(C=C2)N3CCC(CC3)OCC4=C(ON=C4C5=C(C=CC=C5Cl)Cl)C6CC6)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

VVA2ZDV3LX

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 6-(4-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)piperidin-1-yl)-1-methyl-1h-indole-3-carboxylic Acid

2.3.2 Depositor-Supplied Synonyms

1. 1103500-20-4

2. Ly2562175

3. Ly-2562175

4. Vva2zdv3lx

5. Tern-101

6. Chembl3746388

7. 6-(4-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)piperidin-1-yl)-1-methyl-1h-indole-3-carboxylic Acid

8. 1h-indole-3-carboxylic Acid, 6-(4-((5-cyclopropyl-3-(2,6-dichlorophenyl)-4-isoxazolyl)methoxy)-1-piperidinyl)-1-methyl-

9. Unii-vva2zdv3lx

10. Schembl1097262

11. Ex-a2794

12. Bdbm50500349

13. Sb19684

14. Ac-36270

15. Hy-103704

16. Cs-0033341

17. J3.552.460f

18. 6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-methylindole-3-carboxylic Acid

19. 6-{4-[5-cyclopropyl-3-(2,6-dichloro-phenyl)-isoxazol-4-ylmethoxy]-piperidin-1-yl}-1-methyl-1h-indole-3-carboxylic Acid

2.4 Create Date

2009-04-06

3 Chemical and Physical Properties

Molecular Formula	C₂₈H₂₇Cl₂N₃O₄
Molecular Weight	540.4 g/mol
XLogP3	5.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	539.1378617 g/mol
Monoisotopic Mass	539.1378617 g/mol
Topological Polar Surface Area	80.7 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	800
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1