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BMS-707035 - ≥98%, high purity , Integrase inhibitor, CAS No.729607-74-3, Integrase inhibitor

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BMS-707035 - ≥98%, high purity , Integrase inhibitor, CAS No.729607-74-3, Integrase inhibitor

COA

Grade & Purity:

≥98%

Cas Number: 729607-74-3
Molecular Weight: 410.42
PubChem CID: 54682040
PubChem SID: 504771359

In stock

Item Number

B126158

Grouped product items
SKU	Size	Availability	Price
B126158-1mg	1mg	3	$16.90
B126158-5mg	5mg	3	$68.90
B126158-10mg	10mg	3	$122.90
B126158-50mg	50mg	2	$434.90

Potent, specific, reversible HIV-I integrase (IN) inhibitor

View related series

Anti-infection (2803) HIV (254) HIV Integrase (29) Metabolic Enzyme/Protease (4860) Nucleic Acid Metabolism (395) Virus (1811)

Basic Description

Synonyms	N-[(4-fluorophenyl)methyl]-1,6-dihydro-5-hydroxy-1-methyl-6-oxo-2-(tetrahydro-1,1-dioxido-2H-1,2-thiazin-2-yl)-4-Pyrimidinecarboxamide;BMS-707035 \| GLXC-25025 \| AS-56102 \| J-523299 \| SCHEMBL6095261 \| CCG-268769 \| SW219387-1 \| HY-13269 \| 4-(4-Chlorophenyl)
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	BMS-707035 is an HIV-1 integrase (IN) inhibitor. BMS-707035 was scheduled to be evaluated in a Phase II study to assess the antiretroviral activity, safety, pharmacodynamics, and pharmacokinetics in 50 HIV-infected subjects using a 10-day randomized, doub
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.
Action Type	INHIBITOR
Mechanism of action	Integrase inhibitor
Product Description	BMS-707035 is a specific HIV-I integrase (IN) inhibitor with IC50 of 15 nM. Phase 2.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyrimidinecarboxylic acids and derivatives
Alternative Parents	2-heteroaryl carboxamides Delta sultams Pyrimidones Fluorobenzenes Hydroxypyrimidines Organosulfonamides Aryl fluorides Organic sulfonamides Hydropyrimidines Vinylogous acids Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organic oxides Organofluorides Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Delta-sultam - Fluorobenzene - Halobenzene - Pyrimidone - Hydroxypyrimidine - Hydropyrimidine - Benzenoid - 1,2-thiazinane - Organosulfonic acid amide - Organic sulfonic acid amide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Vinylogous acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Lactam - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organic oxide - Organohalogen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids and derivatives. These are compounds containing a pyrimidine ring which bears a carboxylic acid group (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	1

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504771359
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771359
IUPAC Name	2-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
INCHI	InChI=1S/C17H19FN4O5S/c1-21-16(25)14(23)13(15(24)19-10-11-4-6-12(18)7-5-11)20-17(21)22-8-2-3-9-28(22,26)27/h4-7,23H,2-3,8-10H2,1H3,(H,19,24)
InChIKey	VNIWZCGZPBJWBI-UHFFFAOYSA-N
Smiles	CN1C(=O)C(=C(N=C1N2CCCCS2(=O)=O)C(=O)NCC3=CC=C(C=C3)F)O
Isomeric SMILES	CN1C(=O)C(=C(N=C1N2CCCCS2(=O)=O)C(=O)NCC3=CC=C(C=C3)F)O
Molecular Weight	410.42
Reaxy-Rn	15489912
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15489912&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.

4 results found

Lot Number	Certificate Type	Date	Item
D2107030	Certificate of Analysis	Jan 15, 2023	B126158
D2107029	Certificate of Analysis	Jan 15, 2023	B126158
D2107031	Certificate of Analysis	Jan 15, 2023	B126158
D2107033	Certificate of Analysis	Jan 15, 2023	B126158

Chemical and Physical Properties

Solubility	DMSO 38 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
Molecular Weight	410.400 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	410.106 Da
Monoisotopic Mass	410.106 Da
Topological Polar Surface Area	128.000 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	812.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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