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MCL 0020

CAT: 0013-GTR19157592-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19157592-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Potent and selective melanocortin MC4 receptor antagonist (IC50 values are 11.63, 1115 and > 10 000 nM at MC4, MC3 and MC1 receptors respectively) . Significantly reverses stress-induced anorexia but has no effect on food intake in free-feeding rats. Exhibits anxiolytic-like activity in vivo.
CAS Number
475498-26-1
Purity
>98% (HPLC)
Solubility
25% ethanol / water:2 mg/mL
Smiles
CC (=O) N[C@H] (Cc1ccc2ccccc2c1) C (=O) N[C@@H] (CCCNC (N) =N) C (=O) N[C@H] (Cc1ccc2ccccc2c1) C (N) =O
Molecular Formula
C34H39N7O4
Molecular Weight
609.73
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Ac-D-2Nal-Arg-D-2Nal-NH2
CAS Number475498-26-1
PubChem CID9938789
IUPAC Name(2S)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-N-[(2R)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular FormulaC34H39N7O4
Molecular Weight609.7
XLogP2.9
Topological Polar Surface Area195
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Heavy Atom Count45
Formal Charge0
Complexity1050
SMILES
CC(=O)N[C@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CC3=CC4=CC=CC=C4C=C3)C(=O)N
InChI
InChI=1S/C34H39N7O4/c1-21(42)39-30(20-23-13-15-25-8-3-5-10-27(25)18-23)33(45)40-28(11-6-16-38-34(36)37)32(44)41-29(31(35)43)19-22-12-14-24-7-2-4-9-26(24)17-22/h2-5,7-10,12-15,17-18,28-30H,6,11,16,19-20H2,1H3,(H2,35,43)(H,39,42)(H,40,45)(H,41,44)(H4,36,37,38)/t28-,29+,30+/m0/s1
InChIKey
FJFLYSMWSRRMRO-FRXPANAUSA-N
Chemical Structure
2D Structure
2D structure of Ac-D-2Nal-Arg-D-2Nal-NH2
CAS: 475498-26-1
CID: 9938789
Formula: C34H39N7O4
MW: 609.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight609.7
XLogP32.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Exact Mass609.30635275
Monoisotopic Mass609.30635275
Topological Polar Surface Area195 Ų
Heavy Atom Count45
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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