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ORG 2766

CAT: 0931-T33820-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T33820-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
50913-82-1
Target
Others, Melanocortin Receptor
Related Pathways
Others, GPCR/G Protein, Neuroscience
Bioactivity
ORG 2766 is an ACTH 4-9 (H-Met (O) -Glu-His-Phe-D-Lys-Phe-OH) analog and neurotrophic peptide.
Smiles
CS(=O)(=O)CC[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Molecular Formula
C40H55N9O11S
Molecular Weight
869.99
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Org 2766

ACTH 4-9 (H-Met(O)-Glu-His-Phe-D-Lys-Phe-OH) analog in which 4-Met position of fragment substituted by 4-Met sulfoxide, 8-Arg replaced by 8-D-Lys & 9-Trp replaced by 9-Phe; RN given refers to (D-Lys)-isomer

CAS Number50913-82-1
PubChem CID6917685
IUPAC Name(4S)-5-[[(2S)-1-[[(2S)-1-[[(2R)-6-amino-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-2-amino-4-methylsulfonylbutanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC40H55N9O11S
Molecular Weight870.0
XLogP-5
Topological Polar Surface Area343
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count14
Rotatable Bond Count27
Heavy Atom Count61
Formal Charge0
Complexity1570
SMILES
CS(=O)(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)N
InChI
InChI=1S/C40H55N9O11S/c1-61(59,60)19-17-28(42)35(52)45-30(15-16-34(50)51)37(54)48-32(22-27-23-43-24-44-27)39(56)47-31(20-25-10-4-2-5-11-25)38(55)46-29(14-8-9-18-41)36(53)49-33(40(57)58)21-26-12-6-3-7-13-26/h2-7,10-13,23-24,28-33H,8-9,14-22,41-42H2,1H3,(H,43,44)(H,45,52)(H,46,55)(H,47,56)(H,48,54)(H,49,53)(H,50,51)(H,57,58)/t28-,29+,30-,31-,32-,33-/m0/s1
InChIKey
QUCFVNGGGFLOES-ACQYNFKHSA-N
Chemical Structure
2D Structure
2D structure of Org 2766
CAS: 50913-82-1
CID: 6917685
Formula: C40H55N9O11S
MW: 870.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight870.0
XLogP3-5
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count14
Rotatable Bond Count27
Exact Mass869.37417478
Monoisotopic Mass869.37417478
Topological Polar Surface Area343 Ų
Heavy Atom Count61
Formal Charge0
Complexity1570
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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