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Firsocostat (GS-0976) - 98%, high purity , CAS No.1434635-54-7, Allosteric modulator of Acetyl-CoA carboxylase 1;Allosteric modulator of Acetyl-CoA carboxylase 2

COA

Grade & Purity:

Moligand™

≥98%

Cas Number: 1434635-54-7
Molecular Weight: 569.63
PubChem CID: 71528744
PubChem SID: 504772151

In stock

Item Number

F414250

Grouped product items
SKU	Size	Availability	Price
F414250-2mg	2mg	3	$128.90
F414250-5mg	5mg	3	$266.90
F414250-10mg	10mg	2	$444.90
F414250-25mg	25mg	2	$642.90
F414250-50mg	50mg	2	$840.90
F414250-100mg	100mg	2	$1,137.90

Acetyl-CoA carboxylase Inhibitors

View related series

Acetyl-CoA Carboxylase (19) Acetyl-CoA carboxylase 1 Allosteric modulator (1) Acetyl-CoA carboxylase 2 Allosteric modulator (1) Lipid metabolism (1912) Metabolic Enzyme/Protease (4860)

Basic Description

Synonyms	FIRSOCOSTAT [WHO-DD] \| ND-630; NDI-010976; Firsocostat \| FIRSOCOSTAT [INN] \| BS-15388 \| THIENO(2,3-D)PYRIMIDINE-3(2H)-ACETIC ACID, 1,4-DIHYDRO-1-((2R)-2-(2-METHOXYPHENYL)-2-((TETRAHYDRO-2H-PYRAN-4-YL)OXY)ETHYL)-.ALPHA.,.ALPHA.,5-TRIMETHYL-6-(2-OXAZOLYL)-2
Specifications & Purity	Moligand™, ≥98%
Biochemical and Physiological Mechanisms	Firsocostat (GS-0976, NDI-010976, ND-630) is a reversible inhibitor of acetyl CoA carboxylase (ACC) with IC50s of 2.1 nM,6.1 nM for hACC1 and hACC2,respectively.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	ALLOSTERIC MODULATOR
Mechanism of action	Allosteric modulator of Acetyl-CoA carboxylase 1;Allosteric modulator of Acetyl-CoA carboxylase 2
Product Description	Information Firsocostat (GS-0976) Firsocostat (GS-0976, NDI-010976, ND-630) is a reversible inhibitor of acetyl CoA carboxylase (ACC) with IC50s of 2.1 nM,6.1 nM for hACC1 and hACC2,respectively. Targets hACC1 (Cell-free assay); hACC2 (Cell-free assay) 2.1 nM; 6.1 nM In vitro When ND-630 and [¹⁴C]acetate were administered to Hep-G2 cells for 4 h, ND-630 inhibited FASyn with EC50 values of 66 nM in cells cultured in medium containing. When ND-630 and[¹⁴C]palmitate were administered to C2C12 cells for 6 h, ND-630 increased both the release of [¹⁴C]O₂ and the production of[¹⁴C]acid-soluble material. In vivo When administered chronically to rats with diet-induced obesity, ND-630 reduces hepatic steatosis, improves insulin sensitivity, reduces weight gain without affecting food intake, and favorably affects dyslipidemia.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives
Direct Parent	Alpha amino acids and derivatives
Alternative Parents	Thienopyrimidines Benzylethers Phenoxy compounds Anisoles Methoxybenzenes Pyrimidones Alkyl aryl ethers Oxanes Vinylogous amides Thiophenes Oxazoles Heteroaromatic compounds Ureas Lactams Oxacyclic compounds Azacyclic compounds Carboxylic acids Dialkyl ethers Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Alpha-amino acid or derivatives - Benzylether - Thienopyrimidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Oxane - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Oxazole - Thiophene - Vinylogous amide - Heteroaromatic compound - Urea - Lactam - Oxacycle - Azacycle - Carboxylic acid - Dialkyl ether - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Product Properties

ALogP	2.946
hba_count	8
Rotatable Bond	9

Associated Targets(Human)

ACACB Tchem Acetyl-CoA carboxylase 2 (2 Activities)

Discover Target: ACACB

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ACACA Tchem Acetyl-CoA carboxylase 1 (3 Activities)

Discover Target: ACACA

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

Pubchem Sid	504772151
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504772151
IUPAC Name	2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid
INCHI	InChI=1S/C28H31N3O8S/c1-16-21-24(32)31(28(2,3)26(33)34)27(35)30(25(21)40-22(16)23-29-11-14-38-23)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,(H,33,34)/t20-/m0/s1
InChIKey	ZZWWXIBKLBMSCS-FQEVSTJZSA-N
Smiles	CC1=C(SC2=C1C(=O)N(C(=O)N2CC(C3=CC=CC=C3OC)OC4CCOCC4)C(C)(C)C(=O)O)C5=NC=CO5
Isomeric SMILES	CC1=C(SC2=C1C(=O)N(C(=O)N2C[C@@H](C3=CC=CC=C3OC)OC4CCOCC4)C(C)(C)C(=O)O)C5=NC=CO5
Molecular Weight	569.63
Reaxy-Rn	23529544
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23529544&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
K2223351	Certificate of Analysis	Jul 22, 2022	F414250
K2223376	Certificate of Analysis	Jul 22, 2022	F414250
K2223312	Certificate of Analysis	Jul 22, 2022	F414250
K2223321	Certificate of Analysis	Jul 22, 2022	F414250
K2223355	Certificate of Analysis	Jul 22, 2022	F414250
K2223375	Certificate of Analysis	Jul 22, 2022	F414250

Chemical and Physical Properties

Solubility	Solubility (25°C) In vitro DMSO: 100 mg/mL (175.55 mM); Ethanol: 4 mg/mL (7.02 mM); Water: Insoluble;
DMSO(mg / mL) Max Solubility	100
DMSO(mM) Max Solubility	175.552551656338
Water(mg / mL) Max Solubility	＜1
Molecular Weight	569.600 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	9
Exact Mass	569.183 Da
Monoisotopic Mass	569.183 Da
Topological Polar Surface Area	160.000 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	947.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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