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BMS-962212 - 99%, high purity , CAS No.1430114-34-3

COA COA
    Grade & Purity:
  • ≥99%
In stock
Item Number
B650175
Grouped product items
SKU Size
Availability
 Price Qty
B650175-1mg
1mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$580.90
B650175-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,450.90
B650175-10mg
10mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,350.90
Wish List
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View related series
Amino Acid/Protein Metabolism (1836) Factor Xa (34) Metabolic Enzyme/Protease (4860)

Basic Description

Synonyms compound 55 [PMID: 29077405] | UNII-VWJ4VVZ3OU | (S,E)-4-(2-(3-(3-Chloro-2-fluoro-6-(1H-tetrazol-1- yl)phenyl)acryloyl)-5-(4-methyl-2-oxopiperazin-1-yl)- 1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid | GTPL9884 | (S,E)-4-(2-(3-(3-chloro-2-fluo
Specifications & Purity ≥99%
Biochemical and Physiological Mechanisms BMS-962212 is a direct, reversible, selective factor XIa (FXIa) inhibitor . BMS-962212 is well tolerated, with fast onset of pharmacodynamic (PD) responses and rapid elimination. BMS-962212 increases exposure dependently in activated partial thromboplasti
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

BMS-962212 is a direct, reversible, selective factor XIa (FXIa) inhibitor. BMS-962212 is well tolerated, with fast onset of pharmacodynamic (PD) responses and rapid elimination. BMS-962212 increases exposure dependently in activated partial thromboplastin time, and decreases exposure dependently in FXI clotting activity.

Form:Solid

Taxonomic Classification

Taxonomy Tree

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 Cinnamic acids and derivatives  N-arylpiperazines  Phenyltetrazoles and derivatives  Tetrahydroisoquinolines  Alpha amino acids and derivatives  Benzoic acids  Anilides  Benzoyl derivatives  N-arylamides  Styrenes  Fluorobenzenes  Chlorobenzenes  N-methylpiperazines  Aryl chlorides  Aryl fluorides  Heteroaromatic compounds  Tertiary carboxylic acid amides  Trialkylamines  Lactams  Secondary carboxylic acid amides  Amino acids  Azacyclic compounds  Carboxylic acids  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Organochlorides  Organofluorides  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Acylaminobenzoic acid or derivatives - Cinnamic acid or derivatives - N-arylpiperazine - Phenyltetrazole - Alpha-amino acid or derivatives - Tetrahydroisoquinoline - Benzoic acid - Anilide - Benzoyl - N-arylamide - Styrene - Fluorobenzene - Halobenzene - Chlorobenzene - N-alkylpiperazine - N-methylpiperazine - 1,4-diazinane - Aryl chloride - Aryl fluoride - Aryl halide - Piperazine - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Tetrazole - Amino acid - Lactam - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic 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

Associated Targets(Human)

F11 Tchem Coagulation factor XI (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
KLKB1 Tclin Plasma kallikrein (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
F2 Tclin Thrombin (11687 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PLG Tclin Plasminogen (2339 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KLKB1 Tclin Plasma kallikrein (2047 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
F9 Tchem Coagulation factor IX (922 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
F10 Tclin Coagulation factor X (9693 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
F11 Tchem Coagulation factor XI (1733 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
F12 Tchem Coagulation factor XII (1450 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PLAT Tclin Tissue-type plasminogen activator (1057 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PLAU Tchem Urokinase-type plasminogen activator (2016 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
F7 Tchem Coagulation factor VII (948 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PROC Tchem Vitamin K-dependent protein C (491 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Homo sapiens (32628 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Kallikrein 1 (28 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Salmonella typhi (4293 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Canis familiaris (36305 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Oryctolagus cuniculus (11301 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Cynomolgus monkey (4946 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasma (328 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Serum (58 Activities)
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 4-[[(1S)-2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(4-methyl-2-oxopiperazin-1-yl)-3,4-dihydro-1H-isoquinoline-1-carbonyl]amino]benzoic acid
INCHI InChI=1S/C32H28ClFN8O5/c1-39-15-16-40(28(44)17-39)25-4-2-3-22-21(25)13-14-41(30(22)31(45)36-20-7-5-19(6-8-20)32(46)47)27(43)12-9-23-26(42-18-35-37-38-42)11-10-24(33)29(23)34/h2-12,18,30H,13-17H2,1H3,(H,36,45)(H,46,47)/b12-9+/t30-/m0/s1
InChIKey WYFCZWSWFGJODV-MIANJLSGSA-N
Smiles CN1CCN(C(=O)C1)C2=CC=CC3=C2CCN(C3C(=O)NC4=CC=C(C=C4)C(=O)O)C(=O)C=CC5=C(C=CC(=C5F)Cl)N6C=NN=N6
Isomeric SMILES CN1CCN(C(=O)C1)C2=CC=CC3=C2CCN([C@@H]3C(=O)NC4=CC=C(C=C4)C(=O)O)C(=O)/C=C/C5=C(C=CC(=C5F)Cl)N6C=NN=N6
Alternate CAS 1430114-34-3
PubChem CID 71548883
MeSH Entry Terms 4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)acryloyl)-5-(4-methyl-2-oxopiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid;BMS-962212
Molecular Weight 659.07

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

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

Chemical and Physical Properties

Solubility DMSO : 250 mg/mL (379.32 mM; Need ultrasonic)
Molecular Weight 659.100 g/mol
XLogP3 0.900
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 7
Exact Mass 658.186 Da
Monoisotopic Mass 658.186 Da
Topological Polar Surface Area 154.000 Ų
Heavy Atom Count 47
Formal Charge 0
Complexity 1210.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 1
Covalently-Bonded Unit Count 1

Solution Calculators

Reviews

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