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AOD-9604

CAT: 0013-GTR19216069-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19216069-02Size:250 mg
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Description
AOD-9604 is a potential anti-obesity peptide based on human growth hormone. AOD9604 was originally developed after research on mice, but subsequent studies in human have shown no efficacy for the potential treatment of obesity. AOD-9604 is supplied for research use only and is intended for laboratory research involving animal models. Biorbyt supplies these products exclusively to research institutions and commercial laboratories.
CAS Number
221231-10-3
Purity
>98%
Smiles
CC[C@H] (C) [C@@H] (C (=O) N[C@@H] (C (C) C) C (=O) N[C@@H] (CCC (=O) N) C (=O) N[C@H]1CSSC[C@H] (NC (=O) [C@@H] (NC (=O) CNC (=O) [C@@H] (NC (=O) [C@@H] (NC (=O) [C@@H] (NC (=O) [C@@H] (NC1=O) CCCNC (=N) N) CO) C (C) C) CCC (=O) O) CO) C (=O) NCC (=O) N[C@@H] (CC2=CC=CC=C2) C (=O) O) NC (=O) [C@H] (CCCNC (=N) N) NC (=O) [C@H] (CC (C) C) NC (=O) [C@H] (CC3=CC=C (C=C3) O) N
Molecular Formula
C78H123N23O23S2
Molecular Weight
1813.8604
Notes
For research use only.

Chemical Information

Aod-9604

AOD9604 is a synthetic analogue of the lipolytic domain of human growth hormone, being investigated for the treatment of obesity.

CAS Number221231-10-3
PubChem CID71300630
IUPAC Name(2S)-2-[[2-[[(4R,7S,13S,16S,19S,22S,25R)-25-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-22-(3-carbamimidamidopropyl)-13-(2-carboxyethyl)-7,19-bis(hydroxymethyl)-6,9,12,15,18,21,24-heptaoxo-16-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carbonyl]amino]acetyl]amino]-3-phenylpropanoic acid
Molecular FormulaC78H123N23O23S2
Molecular Weight1815.1
XLogP-4.8
Topological Polar Surface Area815
Hydrogen Bond Donor Count28
Hydrogen Bond Acceptor Count28
Rotatable Bond Count45
Heavy Atom Count126
Formal Charge0
Complexity3710
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCNC(=N)N)CO)C(C)C)CCC(=O)O)CO)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)N
InChI
InChI=1S/C78H123N23O23S2/c1-9-41(8)62(101-68(115)47(18-14-28-86-78(83)84)91-69(116)50(29-38(2)3)95-63(110)45(79)30-43-19-21-44(104)22-20-43)75(122)100-61(40(6)7)74(121)94-49(23-25-56(80)105)67(114)98-55-37-126-125-36-54(65(112)88-32-57(106)89-51(76(123)124)31-42-15-11-10-12-16-42)97-70(117)52(34-102)90-58(107)33-87-64(111)48(24-26-59(108)109)93-73(120)60(39(4)5)99-71(118)53(35-103)96-66(113)46(92-72(55)119)17-13-27-85-77(81)82/h10-12,15-16,19-22,38-41,45-55,60-62,102-104H,9,13-14,17-18,23-37,79H2,1-8H3,(H2,80,105)(H,87,111)(H,88,112)(H,89,106)(H,90,107)(H,91,116)(H,92,119)(H,93,120)(H,94,121)(H,95,110)(H,96,113)(H,97,117)(H,98,114)(H,99,118)(H,100,122)(H,101,115)(H,108,109)(H,123,124)(H4,81,82,85)(H4,83,84,86)/t41-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,60-,61-,62-/m0/s1
InChIKey
GVIYUKXRXPXMQM-BPXGDYAESA-N
Chemical Structure
2D Structure
2D structure of Aod-9604
CAS: 221231-10-3
CID: 71300630
Formula: C78H123N23O23S2
MW: 1815.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1815.1
XLogP3-4.8
Hydrogen Bond Donor Count28
Hydrogen Bond Acceptor Count28
Rotatable Bond Count45
Exact Mass1813.86035961
Monoisotopic Mass1813.86035961
Topological Polar Surface Area815 Ų
Heavy Atom Count126
Formal Charge0
Complexity3710
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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