Description:
ND-646 is an orally bioactive inhibitor of acetyl-CoA carboxylase (ACC) that inhibits both ACC1 and ACC2. It prevents ACC subunit dimerization to inhibit fatty acid synthesis in vitro and in vivo.
- Molecular Weight: 568.64
- Molecular Formula: C28H32N4O7S
Purity: ≥95%
Canonical SMILES:
CC1=C(SC2=C1C(=O)N(C(=O)N2CC(C3=CC=CC=C3OC)OC4CCOCC4)C(C)(C)C(=O)N)C5=NC=CO5
InChI:
InChI=1S/C28H32N4O7S/c1-16-21-24(33)32(28(2,3)26(29)34)27(35)31(25(21)40-22(16)23-30-11-14-38-23)15-20(39-17-9-12-37-13-10-17)18-7-5-6-8-19(18)36-4/h5-8,11,14,17,20H,9-10,12-13,15H2,1-4H3,(H2,29,34)/t20-/m0/s1
InChIKey: HSRWXLIYNCKHRZ-FQEVSTJZSA-N
- Boiling Point: 801.8±75.0°C at 760 mmHg
- Solubility: Soluble in DMF, DMSO, Ethanol
- Appearance: Solid
- Storage: Store at -20°C
Synonyms:
ND 646; ND646; BCP29105; CS-7887; BCP 29105; CS 7887; BCP-29105; CS7887; Thieno[2,3-d]pyrimidine-3(2H)-acetamide, 1,4-dihydro-1-[(2R)-2-(2-methoxyphenyl)-2-[(tetrahydro-2H-pyran-4-yl)oxy]ethyl]-α,α,5-trimethyl-6-(2-oxazolyl)-2,4-dioxo-; 1,4-Dihydro-1-[(2R)-2-(2-methoxyphenyl)-2-[(tetrahydro-2H-pyran-4-yl)oxy]ethyl]-α,α,5-trimethyl-6-(2-oxazolyl)-2,4-dioxothieno[2,3-d]pyrimidine-3(2H)-acetamide; (R)-2-(1-(2-(2-methoxyphenyl)-2-((tetrahydro-2H-pyran-4-yl)oxy)ethyl)-5-methyl-6-(oxazol-2-yl)-2,4-dioxo-1,4-dihydrothieno[2,3-d]pyrimidin-3(2H)-yl)-2-methylpropanamide
More details are to be found on supplier website
