AVE 0991 , CAS No.304462-19-9, Agonist of MAS1

Item Number

A607818

Grouped product items
SKU	Size	Availability	Price	Qty
A607818-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$41.90	+-
A607818-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$139.90	+-
A607818-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$449.90	+-

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Basic Description

Synonyms	A820377 \| 2-Thiophenesulfonamide, N-((ethylamino)carbonyl)-3-(4-((5-formyl-4-methoxy-2-phenyl-1H-imidazol-1-yl)methyl)phenyl)-5-(2-methylpropyl)- \| AS-55939 \| 68JR6NCI7I \| AKOS027338221 \| 1-ethyl-3-[3-[4-[(5-formyl-4-methoxy-2-phenylimidazol-1-yl)methyl]p
Specifications & Purity	Moligand™
Shipped In	Ice chest + Ice pads
Grade	Moligand™
Action Type	AGONIST
Mechanism of action	Agonist of MAS1
Product Description	AVE 0991 is a nonpeptide and orally active angiotensin-(1-7) receptor agonist with an IC50 of 21 nM.

Names and Identifiers

IUPAC Name	1-ethyl-3-[3-[4-[(5-formyl-4-methoxy-2-phenylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylurea
INCHI	InChI=1S/C29H32N4O5S2/c1-5-30-29(35)32-40(36,37)28-24(16-23(39-28)15-19(2)3)21-13-11-20(12-14-21)17-33-25(18-34)27(38-4)31-26(33)22-9-7-6-8-10-22/h6-14,16,18-19H,5,15,17H2,1-4H3,(H2,30,32,35)
InChi Key	QTOZBSNPDCWHPV-UHFFFAOYSA-N
Canonical SMILES	CCNC(=O)NS(=O)(=O)C1=C(C=C(S1)CC(C)C)C2=CC=C(C=C2)CN3C(=C(N=C3C4=CC=CC=C4)OC)C=O
Isomeric SMILES	CCNC(=O)NS(=O)(=O)C1=C(C=C(S1)CC(C)C)C2=CC=C(C=C2)CN3C(=C(N=C3C4=CC=CC=C4)OC)C=O
Molecular Weight	580.72

Chemical and Physical Properties

Solubility	H2O: <0.1 mg/mL (Insoluble)；DMSO: 30 mg/mL (51.66 mM), Sonication is recommended.
Sensitivity	light sensitive
Molecular Weight	580.700 g/mol
XLogP3	5.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Exact Mass	580.181 Da
Monoisotopic Mass	580.181 Da
Topological Polar Surface Area	156.000 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	931.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

References

1. Skiba DS, Nosalski R, Mikolajczyk TP, Siedlinski M, Rios FJ, Montezano AC, Jawien J, Olszanecki R, Korbut R, Czesnikiewicz-Guzik M et al.. (2017) Anti-atherosclerotic effect of the angiotensin 1-7 mimetic AVE0991 is mediated by inhibition of perivascular and plaque inflammation in early atherosclerosis.. Br J Pharmacol, 174 (22): (4055-4069). [PMID:27935022] [10.1021/op500134e]

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Basic Description