Trans-4-{4-[7-Amino-2-(1,2,3-Benzothiadiazol-7-Yl)-3-Chlorofuro[2,3-C]pyridin-4-Yl]-1h-Pyrazol-1-Yl}cyclohexanol , CAS No.1326712-16-6

CAS: 1326712-16-6 Cat. No.: T669279 Molecular Weight: 466.9 PubChem CID: 66760355
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Synonyms
coMpound 13a | Trans-4-{4-[7-Amino-2-(1,2,3-Benzothiadiazol-7-Yl)-3-Chlorofuro[2,3-C]pyridin-4-Yl]-1h-Pyrazol-1-Yl}cyclohexanol | TAK1 INHIBITOR | trans-4-(4-(7-Amino-2-(benzo[d][1,2,3]thiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl)-1H-pyrazol-1-yl)cycl
Storage
Room temperature
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Size
Status
Price
Qty
1mg
T669279-1mg
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$571.90

$999.90
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5mg
T669279-5mg
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$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

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
coMpound 13a | Trans-4-{4-[7-Amino-2-(1, 2, 3-Benzothiadiazol-7-Yl)-3-Chlorofuro[2, 3-C]pyridin-4-Yl]-1h-Pyrazol-1-Yl}cyclohexanol | TAK1 INHIBITOR | trans-4-(4-(7-Amino-2-(benzo[d][1, 2, 3]thiadiazol-7-yl)-3-chlorofuro[2, 3-c]pyridin-4-yl)-1H-pyrazol-1-yl)cycl
Storage
Room temperature
Product Properties
ALogP3.6
Names and Identifiers
Canonical SmilesC1CC(CCC1N2C=C(C=N2)C3=CN=C(C4=C3C(=C(O4)C5=C6C(=CC=C5)N=NS6)Cl)N)O
IUPAC Name4-[4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol
InChIKeyIXXBWYJJOYSCNJ-UHFFFAOYSA-N
INCHI1S/C22H19ClN6O2S/c23-18-17-15(11-8-26-29(10-11)12-4-6-13(30)7-5-12)9-25-22(24)20(17)31-19(18)14-2-1-3-16-21(14)32-28-27-16/h1-3,8-10,12-13,30H,4-7H2,(H2,24,25)
Isomeric SMILES C1CC(CCC1N2C=C(C=N2)C3=CN=C(C4=C3C(=C(O4)C5=C6C(=CC=C5)N=NS6)Cl)N)O
PubChem CID 66760355
Molecular Weight 466.9

Documentation

📋 Safety Data Sheet (SDS)

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

Download SDS →

✅ Certificate of Analysis (COA)

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

Look up COA →

📊 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
ClassPyridines and derivatives
SubclassPyrazolylpyridines
Intermediate Tree Nodes Not available
Direct ParentPyrazolylpyridines
Alternative Parents Furo[2,3-c]pyridines  Benzothiadiazoles  Cyclohexanols  Aminopyridines and derivatives  Imidolactams  Benzenoids  Aryl chlorides  Thiadiazoles  Pyrazoles  Heteroaromatic compounds  Furans  Cyclic alcohols and derivatives  Oxacyclic compounds  Azacyclic compounds  Primary amines  Organopnictogen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 3-pyrazolylpyridine - Furo[2,3-c]pyridine - Furopyridine - 1,2,3-benzothiadiazole - Cyclohexanol - Aminopyridine - Imidolactam - Benzenoid - Aryl halide - Aryl chloride - Heteroaromatic compound - Thiadiazole - Pyrazole - Furan - Cyclic alcohol - Azole - Secondary alcohol - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as pyrazolylpyridines. These are compounds containing a pyrazolylpyridine skeleton, which consists of a pyrazole linked (not fused) to a pyridine by a bond.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
AURKB Tchem Serine/threonine-protein kinase Aurora-B (6805 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAP3K7 Tchem Mitogen-activated protein kinase kinase kinase 7 (1167 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver microsomes (16955 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver (3974 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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 Weight466.900 g/mol
XLogP33.600
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass466.098 Da
Monoisotopic Mass466.098 Da
Topological Polar Surface Area144.000 Ų
Heavy Atom Count32
Formal Charge0
Complexity672.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
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
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