A-779

CAT: 0957-E0039-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0957-E0039-02Size:25 mg

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Description

A-779 is a potent and selective antagonist for Angiotensin- (1-7) (Ang- (1-7) ) with an IC50 of 0.3 nM in a radioligand binding assay. A-779 shows no significant affinity for AT1 or AT2 receptors at a concentration of 1 μM.

CAS Number

159432-28-7

Target

Angiotensin Receptor

Activity

GPCR & G Protein

Molecular Formula

C39H60N12O11

Storage Conditions

3 years -20°C powder

Chemical Information

(D-Ala7)-Angiotensin I/II (1-7)

CAS Number	159432-28-7
PubChem CID	10169886
IUPAC Name	(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(1R)-1-carboxyethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Molecular Formula	C39H60N12O11
Molecular Weight	873.0
XLogP	-3.3
Topological Polar Surface Area	389
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	26
Heavy Atom Count	62
Formal Charge	0
Complexity	1570

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](C)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C39H60N12O11/c1-6-20(4)31(37(60)49-28(15-23-17-43-18-45-23)34(57)46-21(5)38(61)62)51-35(58)27(14-22-9-11-24(52)12-10-22)48-36(59)30(19(2)3)50-33(56)26(8-7-13-44-39(41)42)47-32(55)25(40)16-29(53)54/h9-12,17-21,25-28,30-31,52H,6-8,13-16,40H2,1-5H3,(H,43,45)(H,46,57)(H,47,55)(H,48,59)(H,49,60)(H,50,56)(H,51,58)(H,53,54)(H,61,62)(H4,41,42,44)/t20-,21+,25-,26-,27-,28-,30-,31-/m0/s1

InChIKey

GZSZZUXDAPDPOR-NGIFJXEWSA-N

Chemical Structure

2D Structure

CAS: 159432-28-7

CID: 10169886

Formula: C39H60N12O11

MW: 873.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	873.0
XLogP3	-3.3
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	26
Exact Mass	872.45045078
Monoisotopic Mass	872.45045078
Topological Polar Surface Area	389 Å²
Heavy Atom Count	62
Formal Charge	0
Complexity	1570
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
T7616	A 779
C01036-01	A-779
BA1898-5	TAK-779
A22477-10	A 779 10mg
A22477-5	A 779 5mg
350455	A-779 Peptide
A22477-50	A 779 50mg
A22477-1	A 779 1mg
MBS5758504	A 779 (3TFA)

A-779

Chemical Information

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