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TAK-441 - ≥98%, high purity , Smoothened homolog antagonist, CAS No.1186231-83-3, Smoothened homolog antagonist

Moligand™
≥98%

CAS#: 1186231-83-3
Formula: C₂₈H₃₁F₃N₄O₆
Molecular Weight: 576.56
PubChem CID: 44187367

Item Number

T614313

Grouped product items
SKU	Size	Availability	Price
T614313-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$122.90
T614313-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$317.90
T614313-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$520.90
T614313-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$950.90

View related series

Hedgehog SMO Antagonist

Basic Description

Synonyms	TAK-441\|1186231-83-3\|CY3QT94KWP\|CHEMBL2205230\|6-ethyl-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-1-methyl-4-oxo-5-phenacyl-3-(2,2,2-trifluoroethoxy)pyrrolo[3,2-c]pyridine-2-carboxamide\|TAK 441\|ZADWXQMNNVICKB-UHFFFAOYSA-N\|UNII-CY3QT94KWP\|GTPL8200\|SCHEMBL1061476
Specifications & Purity	Moligand™, ≥98%
Storage Temp	Protected from light,Store at -20°C
Shipped In	Ice chest + Ice pads
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Smoothened homolog antagonist
Product Description	TAK-441 is an active inhibitor of Hedgehog signaling(IC50 = 4.4 nM) with potent antitumor activity. TAK-441 suppresses transcription factor Gli1 mRNA expression and tumor growth.

Associated Targets

SMO Tclin Smoothened homolog 1 Activities

Discover Target: SMO

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SHH Tchem Sonic hedgehog protein 0 Activities

Discover Target: SHH

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

IUPAC Name	6-ethyl-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-1-methyl-4-oxo-5-phenacyl-3-(2,2,2-trifluoroethoxy)pyrrolo[3,2-c]pyridine-2-carboxamide
INCHI	InChI=1S/C28H31F3N4O6/c1-3-19-13-20-23(27(40)35(19)14-21(37)17-7-5-4-6-8-17)25(41-16-28(29,30)31)24(33(20)2)26(39)32-18-9-11-34(12-10-18)22(38)15-36/h4-8,13,18,36H,3,9-12,14-16H2,1-2H3,(H,32,39)
InChi Key	ZADWXQMNNVICKB-UHFFFAOYSA-N
Canonical SMILES	CCC1=CC2=C(C(=C(N2C)C(=O)NC3CCN(CC3)C(=O)CO)OCC(F)(F)F)C(=O)N1CC(=O)C4=CC=CC=C4
Isomeric SMILES	CCC1=CC2=C(C(=C(N2C)C(=O)NC3CCN(CC3)C(=O)CO)OCC(F)(F)F)C(=O)N1CC(=O)C4=CC=CC=C4
Alternate CAS	1186231-83-3
PubChem CID	44187367
MeSH Entry Terms	TAK-441
Molecular Weight	576.56

ChEMBL Ligand

PubChem CID

CAS Registry No.

GPCRdb Ligand

References

1. Ohashi T, Oguro Y, Tanaka T, Shiokawa Z, Tanaka Y, Shibata S, Sato Y, Yamakawa H, Hattori H, Yamamoto Y et al.. (2012) Discovery of the investigational drug TAK-441, a pyrrolo[3,2-c]pyridine derivative, as a highly potent and orally active hedgehog signaling inhibitor: modification of the core skeleton for improved solubility.. Bioorg Med Chem, 20 (18): (5507-17). [PMID:22898254]

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TAK-441 - ≥98%, high purity , Smoothened homolog antagonist, CAS No.1186231-83-3, Smoothened homolog antagonist

Basic Description

Product Properties

Associated Targets

SMO Tclin Smoothened homolog 1 Activities

SHH Tchem Sonic hedgehog protein 0 Activities

Names and Identifiers

Database links

Certificates

Certificate of Analysis(COA)

Chemical and Physical Properties

Related Documents

References

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