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BML-260 - 98%, high purity , CAS No.101439-76-3

COA

Grade & Purity:

≥98%

Cas Number: 101439-76-3
Molecular Weight: 341.4
PubChem CID: 508165
PubChem SID: 504758958

In stock

Item Number

B333552

Grouped product items
SKU	Size	Availability	Price
B333552-10mg	10mg	3	$66.90
B333552-50mg	50mg	2	$204.90
B333552-100mg	100mg	2	$367.90

an inhibitor of the dual specificity phosphatase JSP-1

View related series

Cell Cycle (2830) Lipid metabolism (1912)

Basic Description

Synonyms	SCHEMBL6789390 \| 4-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid \| 4-(5-Phenylmethylene-4-oxo-2-thionothiazolidin-3-yl)benzoic acid \| 4-(5-benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)benzoic acid \| DTXSID90333495 \| 4-[(5Z)-5-BENZY
Specifications & Purity	≥98%
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.
Product Description	BML-260 is a potent inhibitor of the DUSP22 (dual specificity phosphatase 22, JSP-1) (IC\|50\|=18μM).

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Acylaminobenzoic acid and derivatives
Alternative Parents	Benzoic acids Benzoyl derivatives Thiazolidinethiones Carboxylic acids Azacyclic compounds Organosulfur compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Acylaminobenzoic acid or derivatives - Benzoic acid - Benzoyl - Thiazolidinethione - Thiazolidine - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
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

Names and Identifiers

Pubchem Sid	504758958
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504758958
IUPAC Name	4-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid
INCHI	InChI=1S/C17H11NO3S2/c19-15-14(10-11-4-2-1-3-5-11)23-17(22)18(15)13-8-6-12(7-9-13)16(20)21/h1-10H,(H,20,21)
InChIKey	HJGHAHOKZBWVGK-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CC=C(C=C3)C(=O)O
Isomeric SMILES	C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CC=C(C=C3)C(=O)O
Molecular Weight	341.4
Reaxy-Rn	8130646
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8130646&ln=

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

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Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
L2417201	Certificate of Analysis	Aug 15, 2022	B333552
C2514396	Certificate of Analysis	Aug 15, 2022	B333552
K2217290	Certificate of Analysis	Aug 15, 2022	B333552
K2217291	Certificate of Analysis	Aug 15, 2022	B333552
K2217293	Certificate of Analysis	Aug 15, 2022	B333552

Chemical and Physical Properties

Solubility	Soluble in THF, and DMSO (25 mg/mL).
Refractive Index	n20D1.77
Boil Point(°C)	~556.4° C at 760 mmHg (Predicted)
Melt Point(°C)	>240° C
Molecular Weight	341.400 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	341.018 Da
Monoisotopic Mass	341.018 Da
Topological Polar Surface Area	115.000 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	532.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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