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MLT-747 - 99%, high purity , CAS No.2097853-86-4

COA

Grade & Purity:

≥99%

Cas Number: 2097853-86-4
Molecular Weight: 478.33
PubChem CID: 129117094

In stock

Item Number

M647585

Grouped product items
SKU	Size	Availability	Price
M647585-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$350.90
M647585-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$600.90
M647585-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,150.90

View related series

Amino Acid/Protein Metabolism (1836) MALT1 (15) Metabolic Enzyme/Protease (4860) NF-κB (747)

Basic Description

Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	MLT-747 is a potent, selective, allosteric inhibitor of MALT1 , binds MALT1 in the allosteric Trp580 pocket, with an IC 50 of 14 nM.
Storage Temp	Protected from light,Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	MLT-747 is a potent, selective, allosteric inhibitor of MALT1 , binds MALT1 in the allosteric Trp580 pocket, with an IC 50 of 14 nM In Vitro MLT-747 (0-20 μM) stabilizes cellular MALT1-W580S with an EC 50 of 314 nM. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:IC50: 14 nM (MALT1)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrazolopyrimidines
    - Subclass Pyrazolo[1,5-a]pyrimidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrazolopyrimidines
Subclass	Pyrazolo[1,5-a]pyrimidines
Intermediate Tree Nodes	Not available
Direct Parent	Pyrazolo[1,5-a]pyrimidines
Alternative Parents	Pyridinecarboxylic acids and derivatives N-acylpyrrolidines 2-heteroaryl carboxamides Pyrimidines and pyrimidine derivatives Aryl chlorides Vinylogous halides Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Ureas Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrazolo[1,5-a]pyrimidine - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - N-acylpyrrolidine - Pyrimidine - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Vinylogous halide - Tertiary carboxylic acid amide - Pyrrolidine - Pyrazole - Azole - Urea - Carbonic acid derivative - Carboxamide group - Azacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrazolo[1,5-a]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to and sharing exactly one nitrogen atom with a pyrimidine ring.
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

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	1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(pyrrolidine-1-carbonyl)pyridin-3-yl]urea
INCHI	InChI=1S/C20H21Cl2N7O3/c1-11(32-2)18-14(10-23-16-8-15(22)27-29(16)18)26-20(31)25-12-7-13(21)17(24-9-12)19(30)28-5-3-4-6-28/h7-11H,3-6H2,1-2H3,(H2,25,26,31)/t11-/m0/s1
InChIKey	OJTGJRAKRGEDPI-NSHDSACASA-N
Smiles	CC(C1=C(C=NC2=CC(=NN21)Cl)NC(=O)NC3=CC(=C(N=C3)C(=O)N4CCCC4)Cl)OC
Isomeric SMILES	C[C@@H](C1=C(C=NC2=CC(=NN21)Cl)NC(=O)NC3=CC(=C(N=C3)C(=O)N4CCCC4)Cl)OC
PubChem CID	129117094
Molecular Weight	478.33

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	478.300 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	477.108 Da
Monoisotopic Mass	477.108 Da
Topological Polar Surface Area	114.000 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	684.000
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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