3-(1-{2-[(2R,5S)-2-[2-(4-tert-butylpiperazin-1-yl)-3-fluorophenyl]-3-(3,3-dimethylbutyl)-4-oxo-1,3-thiazolidin-5-yl]acetyl}piperidin-4-yl)-2,3,4,5,5a,9a-hexahydro-1H-1,3-benzodiazepin-2-one , CAS No.R609243, Antagonist of CGRP receptor

Item Number

R609243

Grouped product items
SKU	Size	Availability	Price	Qty
R609243-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$570.90
R609243-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

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Specifications & Purity

Moligand™

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of CGRP receptor

Associated Targets(Human)

RAMP1 Tclin Receptor activity-modifying protein 1 (0 Activities)

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

CALCRL Tclin Calcitonin gene-related peptide type 1 receptor (0 Activities)

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

Names and Identifiers

IUPAC Name	3-(1-{2-[(2R,5S)-2-[2-(4-tert-butylpiperazin-1-yl)-3-fluorophenyl]-3-(3,3-dimethylbutyl)-4-oxo-1,3-thiazolidin-5-yl]acetyl}piperidin-4-yl)-2,3,4,5,5a,9a-hexahydro-1H-1,3-benzodiazepin-2-one
INCHI	InChI=1S/C39H57FN6O3S/c1-38(2,3)17-21-46-35(48)32(50-36(46)29-11-9-12-30(40)34(29)43-22-24-44(25-23-43)39(4,5)6)26-33(47)42-18-15-28(16-19-42)45-20-14-27-10-7-8-13-31(27)41-37(45)49/h7-13,27-28,31-32,36H,14-26H2,1-6H3,(H,41,49)/t27?,31?,32-,36+/m0/s1
InChi Key	UUUGXEGGIAPJQE-MYMUVWEJSA-N
Canonical SMILES	O=C(N1CCC(CC1)N1CCC2C(NC1=O)C=CC=C2)C[C@@H]1S[C@@H](N(C1=O)CCC(C)(C)C)c1cccc(c1N1CCN(CC1)C(C)(C)C)F
Isomeric SMILES	CC(C)(C)CCN1[C@H](S[C@H](C1=O)CC(=O)N2CCC(CC2)N3CCC4C=CC=CC4NC3=O)C5=C(C(=CC=C5)F)N6CCN(CC6)C(C)(C)C
PubChem CID	117072555

References

1. Joshi P, Anderson C, Binch H, Hadida S, Yoo S, Bergeron D, Decker C, terHaar E, Moore J, Garcia-Guzman M et al.. (2014) Identification of potent CNS-penetrant thiazolidinones as novel CGRP receptor antagonists.. Bioorg Med Chem Lett, 24 (3): (845-9). [PMID:24405707] [10.1021/op500134e]

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Basic Description