JNJ-67856633

CAT: 0013-GTR19171023-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19171023-02Size:5 mg

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Description

JNJ-67856633 is a first-in-class, orally bioavailable, and selective allosteric inhibitor of the MALT1 protease. This small molecule research tool has demonstrated activity in preclinical models, including the induction of tumor stasis in vivo, and is used to investigate MALT1's role in lymphoma and autoimmune disease pathways.

CAS Number

2230273-76-2

Product Name Alternative

Allosteric, active, orally, JNJ67856633, JNJ-67856633, JNJ 67856633, mucosa associated lymphoid tissue lymphoma translocation gene 1, inhibit, Inhibitor, MALT1, potent, selective

Field of Research

Immunology & Inflammation

Purity

99.87% (May vary between batches)

Solubility

10% DMSO+40% PEG300+5% Tween-80+45% Saline:5 mg/mL (10.7 mM) ; DMSO:125 mg/mL (267.48 mM)

Smiles

FC (F) (F) c1c (cnn1-c1cccc2c1cc[nH]c2=O) C (=O) Nc1ccnc (c1) C (F) (F) F

Molecular Formula

C20H11F6N5O2

Molecular Weight

467.32

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Safimaltib

Safimaltib is a small molecule drug. Safimaltib is under investigation in clinical trial NCT06788509 (A Rollover Study for Continued Study Treatment and Ongoing Safety Monitoring). Safimaltib has a monoisotopic molecular weight of 467.08 Da.

CAS Number	2230273-76-2
PubChem CID	134609793
IUPAC Name	1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
Molecular Formula	C20H11F6N5O2
Molecular Weight	467.3
XLogP	2.9
Topological Polar Surface Area	88.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	3
Heavy Atom Count	33
Formal Charge	0
Complexity	788

SMILES

C1=CC2=C(C=CNC2=O)C(=C1)N3C(=C(C=N3)C(=O)NC4=CC(=NC=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H11F6N5O2/c21-19(22,23)15-8-10(4-6-27-15)30-18(33)13-9-29-31(16(13)20(24,25)26)14-3-1-2-12-11(14)5-7-28-17(12)32/h1-9H,(H,28,32)(H,27,30,33)

InChIKey

APWRZPQBPCAXFP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2230273-76-2

CID: 134609793

Formula: C20H11F6N5O2

MW: 467.3

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	467.3
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	3
Exact Mass	467.08169358
Monoisotopic Mass	467.08169358
Topological Polar Surface Area	88.9 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	788
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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