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Tanomastat , CAS No.179545-77-8, Inhibitor of MMP2

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Tanomastat , CAS No.179545-77-8, Inhibitor of MMP2

COA

Grade & Purity:

Moligand™

≥98%

Cas Number: 179545-77-8
Molecular Weight: 410.92
PubChem CID: 6918336

In stock

Item Number

T340022

Grouped product items
SKU	Size	Availability	Price
T340022-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$149.90
T340022-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$213.90
T340022-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$939.90

an angiogenesis and Matrix Metalloproteinase inhibitor

View related series

Amino Acid/Protein Metabolism (1836) Metabolic Enzyme/Protease (4860) MMP (148) MMP2 Inhibitor (10)

Basic Description

Synonyms	DB06276 \| AKOS015911399 \| (S)-4'-Chloro-gamma-oxo-alpha-((phenylthio)methyl)(1,1'-biphenyl)-4-butanoic acid \| (S)-4-(4'-Chloro-[1,1'-biphenyl]-4-yl)-4-oxo-2-((phenylthio)methyl)butanoic acid \| Tanomastat \| BAY 12-9566
Specifications & Purity	Moligand™, ≥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.
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of MMP2
Product Description	Tanomastat is an angiogenesis inhibitor. A MMP (Matrix Metalloproteinase) inhibitor.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Biphenyls and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Chlorinated biphenyls
Alternative Parents	Alkyl-phenylketones Butyrophenones Thiophenol ethers Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives Alkylarylthioethers Chlorobenzenes Aryl chlorides Monocarboxylic acids and derivatives Sulfenyl compounds Carboxylic acids Hydrocarbon derivatives Aldehydes Organic oxides Organochlorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Chlorinated biphenyl - Alkyl-phenylketone - Butyrophenone - Phenylketone - Gamma-keto acid - Aryl thioether - Thiophenol ether - Aryl ketone - Aryl alkyl ketone - Benzoyl - Halobenzene - Chlorobenzene - Alkylarylthioether - Aryl chloride - Keto acid - Aryl halide - Ketone - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Thioether - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Aldehyde - Organosulfur compound - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety.
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

pKa	pKa: 4.01 (Predicted)
Ki Data	MMP-2: Ki= 11 nM (human); MMP-3: Ki= 143 nM (human); MMP-9: Ki= 301 nM (human); MMP-13: Ki= 1.47 μM (human); MMP-1: Ki= 5 μM (human)

Associated Targets(Human)

MMP9 Tchem Matrix metalloproteinase-9 (2 Activities)

Discover Target: MMP9

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

MMP2 Tchem 72 kDa type IV collagenase (3 Activities)

Discover Target: MMP2

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

MMP3 Tchem Stromelysin-1 (2 Activities)

Discover Target: MMP3

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

MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)

Discover Target: MMP3

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

Associated Targets(non-human)

Mmp13 Matrix metalloproteinase 13 (19 Activities)

Discover Target: Mmp13

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

Mmp2 Matrix metalloproteinase-2 (12 Activities)

Discover Target: Mmp2

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

Mmp9 Matrix metalloproteinase 9 (38 Activities)

Discover Target: Mmp9

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

IUPAC Name	(2S)-4-[4-(4-chlorophenyl)phenyl]-4-oxo-2-(phenylsulfanylmethyl)butanoic acid
INCHI	InChI=1S/C23H19ClO3S/c24-20-12-10-17(11-13-20)16-6-8-18(9-7-16)22(25)14-19(23(26)27)15-28-21-4-2-1-3-5-21/h1-13,19H,14-15H2,(H,26,27)/t19-/m1/s1
InChIKey	JXAGDPXECXQWBC-LJQANCHMSA-N
Smiles	C1=CC=C(C=C1)SC[C@@H](CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O
Isomeric SMILES	C1=CC=C(C=C1)SC[C@@H](CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O
Molecular Weight	410.92

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Soluble in acetone, chloroform, DMF, and ethyl acetate.
Refractive Index	n20D1.66 (Predicted)
Specific Rotation[α]	α20/D +82°, c = 1.5 in acetone
Melt Point(°C)	110-112° C
Molecular Weight	410.900 g/mol
XLogP3	5.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	410.074 Da
Monoisotopic Mass	410.074 Da
Topological Polar Surface Area	79.700 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	504.000
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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