AVE 0991 sodium salt

CAT: 0931-T14354-01Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0931-T14354-01Size:2 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

306288-04-0

Target

Others, RAAS

Related Pathways

Others, Endocrinology/Hormones

Bioactivity

AVE 0991 competes for high-affinity binding of [125I]-Ang- (1-7) to bovine aortic endothelial cell membranes, with IC50 of 21±35 nM. AVE 0991 sodium salt is a nonpeptide and orally active Ang- (1-7) receptor Mas agonist.

Smiles

[Na].CCNC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(C=O)c(OC)nc2-c2ccccc2)cc1

Molecular Formula

C29H31N4NaO5S2

Molecular Weight

602.7

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

AVE 0991 sodium salt

CAS Number	306288-04-0
PubChem CID	78357809
IUPAC Name	sodium ethylcarbamoyl-[3-[4-[(5-formyl-4-methoxy-2-phenylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylazanide
Molecular Formula	C29H31N4NaO5S2
Molecular Weight	602.7
Topological Polar Surface Area	145
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	11
Heavy Atom Count	41
Formal Charge	0
Complexity	938

SMILES

CCNC(=O)[N-]S(=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.[Na+]

InChI

InChI=1S/C29H32N4O5S2.Na/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);/q;+1/p-1

InChIKey

GABSTAFOMFJFOI-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 306288-04-0

CID: 78357809

Formula: C29H31N4NaO5S2

MW: 602.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	602.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	11
Exact Mass	602.16335673
Monoisotopic Mass	602.16335673
Topological Polar Surface Area	145 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	938
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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T71924-01	AVE-8063
T30218-01	AVE-2865
T14356-01	AVE-8134
T18975-01	DIDS sodium salt
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AVE 0991 sodium salt

Chemical Information

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