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G protein-coupled receptors (GPCRs)
Bradykinin receptors
SSR240612 , CAS No.465539-70-2, Antagonist of B 1 receptor

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SSR240612 , CAS No.465539-70-2, Antagonist of B 1 receptor

Moligand™

CAS#: 465539-70-2
PubChem CID: 9853583

Item Number

S613720

Grouped product items
SKU	Size	Availability	Price	Qty
S613720-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$570.90
S613720-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

View related series

B1 receptor Antagonist

Basic Description

Synonyms	SSR240612 free base \| 465539-70-2 \| ssr-240612 free base \| 189R4J5E0F \| (R)-2-((R)-3-(Benzo[d][1,3]dioxol-5-yl)-3-((6-methoxynaphthalene)-2-sulfonamido)propanamido)-3-(4-(((2R,6S)-2,6-dimethylpiperidin-1-yl)methyl)phenyl)-N-isopropyl-N-methylpropanamide \| SSR 24061
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Antagonist of B 1 receptor

Associated Targets(Human)

BDKRB1 Tchem B1 bradykinin receptor (0 Activities)

Discover Target: BDKRB1

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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SARS-CoV-2 (38078 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Names and Identifiers

IUPAC Name	(2R)-2-[[(3R)-3-(1,3-benzodioxol-5-yl)-3-[(6-methoxynaphthalen-2-yl)sulfonylamino]propanoyl]amino]-3-[4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]-N-methyl-N-propan-2-ylpropanamide
INCHI	InChI=1S/C42H52N4O7S/c1-27(2)45(5)42(48)38(20-30-10-12-31(13-11-30)25-46-28(3)8-7-9-29(46)4)43-41(47)24-37(34-16-19-39-40(23-34)53-26-52-39)44-54(49,50)36-18-15-32-21-35(51-6)17-14-33(32)22-36/h10-19,21-23,27-29,37-38,44H,7-9,20,24-26H2,1-6H3,(H,43,47)/t28-,29+,37-,38-/m1/s1
InChi Key	QGWIQIAWOCJRPI-WSCVWKGISA-N
Canonical SMILES	COc1ccc2c(c1)ccc(c2)S(=O)(=O)N[C@@H](c1ccc2c(c1)OCO2)CC(=O)N[C@@H](C(=O)N(C(C)C)C)Cc1ccc(cc1)CN1[C@H](C)CCC[C@@H]1C
Isomeric SMILES	C[C@@H]1CCC[C@@H](N1CC2=CC=C(C=C2)C[C@H](C(=O)N(C)C(C)C)NC(=O)C[C@H](C3=CC4=C(C=C3)OCO4)NS(=O)(=O)C5=CC6=C(C=C5)C=C(C=C6)OC)C
PubChem CID	9853583

Database links

PubChem CID	9853583
CAS Registry No.	465539-70-2
ChEMBL Ligand	CHEMBL2021721
GPCRdb Ligand	SSR240612

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