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PRN694 - Moligand™ , Inhibitor of BLK proto-oncogene; Src family tyrosine kinase;Inhibitor of BMX non-receptor tyrosine kinase;Inhibitor of Bruton tyrosine kinase;Inhibitor of IL2 inducible T cell kinase;Inhibitor of Janus kinase 3;Inhibitor of tec protei, Inhibitor of BLK proto-oncogene; Src family tyrosine kinase;Inhibitor of BMX non-receptor tyrosine kinase;Inhibitor of Bruton tyrosine kinase;Inhibitor of IL2 inducible T cell kinase;Inhibitor of Janus kinase 3;Inhibitor of tec protein tyrosine kinase;Inh

CAS: 1575818-46-0 Cat. No.: P612926 PubChem CID: 90044055
COA
PRN694 - Moligand™ , Inhibitor of BLK proto-oncogene; Src family tyrosine kinase;Inhibitor of BMX non-receptor tyrosine kinase;Inhibitor of Bruton tyrosine kinase;Inhibitor of IL2 inducible T cell kinase;Inhibitor of Janus kinase 3;Inhibitor of tec protei, Inhibitor of BLK proto-oncogene; Src family tyrosine kinase;Inhibitor of BMX non-receptor tyrosine kinase;Inhibitor of Bruton tyrosine kinase;Inhibitor of IL2 inducible T cell kinase;Inhibitor of Janus kinase 3;Inhibitor of tec protein tyrosine kinase;Inh
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
5-(Difluoromethyl)-N-(5-((((2S)-3,3-dimethylbutan-2-yl)amino)methyl)-1-(((2R)-1-prop-2-enoylpyrrolidin-2-yl)methyl)benzimidazol-2-yl)thiophene-2-carboxamide | GTPL9285 | 5-(Difluoromethyl)-N-(1-(((2R)-1-(1-oxo-2-propen-1-yl)-2-pyrrolidinyl)methyl)-5-((((1
Storage
Room temperature
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Size
Status
Price
Qty
5mg
P612926-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$834.90
25mg
P612926-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,714.90

$2,900.90
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
5-(Difluoromethyl)-N-(5-((((2S)-3, 3-dimethylbutan-2-yl)amino)methyl)-1-(((2R)-1-prop-2-enoylpyrrolidin-2-yl)methyl)benzimidazol-2-yl)thiophene-2-carboxamide | GTPL9285 | 5-(Difluoromethyl)-N-(1-(((2R)-1-(1-oxo-2-propen-1-yl)-2-pyrrolidinyl)methyl)-5-((((1
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of BLK proto-oncogene; Src family tyrosine kinase;Inhibitor of BMX non-receptor tyrosine kinase;Inhibitor of Bruton tyrosine kinase;Inhibitor of IL2 inducible T cell kinase;Inhibitor of Janus kinase 3;Inhibitor of tec protein tyrosine kinase;Inh
Names and Identifiers
Canonical SmilesC=CC(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)C(F)F)nc2c1ccc(c2)CN[C@H](C(C)(C)C)C
IUPAC Name5-(difluoromethyl)-N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-[[(2R)-1-prop-2-enoylpyrrolidin-2-yl]methyl]benzimidazol-2-yl]thiophene-2-carboxamide
InChIKeyNXTKFBGDLDPFLB-PKOBYXMFSA-N
INCHI1S/C28H35F2N5O2S/c1-6-24(36)34-13-7-8-19(34)16-35-21-10-9-18(15-31-17(2)28(3,4)5)14-20(21)32-27(35)33-26(37)23-12-11-22(38-23)25(29)30/h6,9-12,14,17,19,25,31H,1,7-8,13,15-16H2,2-5H3,(H,32,33,37)/t17-,19+/m0/s1
Isomeric SMILES C[C@@H](C(C)(C)C)NCC1=CC2=C(C=C1)N(C(=N2)NC(=O)C3=CC=C(S3)C(F)F)C[C@H]4CCCN4C(=O)C=C
PubChem CID 90044055

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzimidazoles
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzimidazoles
Alternative Parents Thiophene carboxamides  2-heteroaryl carboxamides  N-acylpyrrolidines  2,5-disubstituted thiophenes  Aralkylamines  N-substituted imidazoles  Benzenoids  Tertiary carboxylic acid amides  Acrylic acids and derivatives  Heteroaromatic compounds  Secondary carboxylic acid amides  Amino acids and derivatives  Azacyclic compounds  Dialkylamines  Hydrocarbon derivatives  Organofluorides  Alkyl fluorides  Organic oxides  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzimidazole - 2-heteroaryl carboxamide - N-acylpyrrolidine - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,5-disubstituted thiophene - Aralkylamine - N-substituted imidazole - Benzenoid - Azole - Imidazole - Acrylic acid or derivatives - Pyrrolidine - Tertiary carboxylic acid amide - Thiophene - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Secondary amine - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Organooxygen compound - Organic oxygen compound - Alkyl halide - Amine - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Alkyl fluoride - Organic nitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TXK Tchem Tyrosine-protein kinase TXK (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ITK Tclin Tyrosine-protein kinase ITK/TSK (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
JAK3 Tclin Tyrosine-protein kinase JAK3 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TEC Tchem Tyrosine-protein kinase Tec (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
BTK Tclin Tyrosine-protein kinase BTK (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
BMX Tchem Cytoplasmic tyrosine-protein kinase BMX (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
BLK Tchem Tyrosine-protein kinase Blk (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Mechanisms of Action
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight543.700 g/mol
XLogP35.400
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass543.248 Da
Monoisotopic Mass543.248 Da
Topological Polar Surface Area108.000 Ų
Heavy Atom Count38
Formal Charge0
Complexity856.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

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