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Bremelanotide (Acetate)

CAT: 0804-HY-18678A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-18678A-01Size:5 mg
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Description
Bremelanotide Acetate (PT-141 Acetate), a synthetic peptide analogue of α-MSH, is an agonist at melanocortin receptors including the MC3R and MC4R for the treatment of sexual dysfunction[1].
CAS Number
1607799-13-2
Product Name Alternative
PT-141 Acetate
UNSPSC
12352209
Target
Melanocortin Receptor
Type
Peptides
Related Pathways
GPCR/G Protein; Neuronal Signaling
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/Bremelanotide-Acetate.html
Purity
99.97
Solubility
DMSO : 125 mg/mL (ultrasonic) |H2O : ≥ 50 mg/mL
Smiles
O=C(N[C@](CCCCNC(C[C@@H]1NC([C@@H](NC(C)=O)CCCC)=O)=O)([H])C(O)=O)[C@@H](NC([C@@H](NC([C@@](NC([C@@H](NC1=O)CC2=CN=CN2)=O)([H])CC3=CC=CC=C3)=O)CCCNC(N)=N)=O)CC4=CNC5=CC=CC=C45.OC(C)=O
Molecular Formula
C52H72N14O12
Molecular Weight
1085.22
References & Citations
[1]Molinoff PB, et al. PT-141: a melanocortin agonist for the treatment of sexual dysfunction. Ann N Y Acad Sci. 2003 Jun;994:96-102.|[2]Pfaus JG, et al. Selective facilitation of sexual solicitation in the female rat by a melanocortin receptor agonist. Proc Natl Acad Sci U S A. 2004 Jul 6;101 (27) :10201-4.
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture and light, under nitrogen)
Scientific Category
Peptides
Clinical Information
Launched
Isoform
MC3R; MC4R

Chemical Information

Bremelanotide Acetate

See also: Bremelanotide (has active moiety).

CAS Number1607799-13-2
PubChem CID91971505
IUPAC Name(3S,6S,9R,12S,15S,23S)-15-[[(2S)-2-acetamidohexanoyl]amino]-9-benzyl-6-[3-(diaminomethylideneamino)propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-23-carboxylic acid;acetic acid
Molecular FormulaC52H72N14O12
Molecular Weight1085.2
Topological Polar Surface Area416
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count14
Rotatable Bond Count17
Heavy Atom Count78
Formal Charge0
Complexity1980
SMILES
CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC2=CN=CN2)CC3=CC=CC=C3)CCCN=C(N)N)CC4=CNC5=CC=CC=C54)C(=O)O)NC(=O)C.CC(=O)O
InChI
InChI=1S/C50H68N14O10.C2H4O2/c1-3-4-16-35(58-29(2)65)43(67)64-41-25-42(66)54-20-11-10-18-37(49(73)74)60-46(70)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(68)36(19-12-21-55-50(51)52)59-45(69)38(22-30-13-6-5-7-14-30)61-47(71)40(63-48(41)72)24-32-27-53-28-57-32;1-2(3)4/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25H2,1-2H3,(H,53,57)(H,54,66)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,64,67)(H,73,74)(H4,51,52,55);1H3,(H,3,4)/t35-,36-,37-,38+,39-,40-,41-;/m0./s1
InChIKey
MAYUSRUHXFWITM-GBRHMYBBSA-N
Chemical Structure
2D Structure
2D structure of Bremelanotide Acetate
CAS: 1607799-13-2
CID: 91971505
Formula: C52H72N14O12
MW: 1085.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1085.2
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count14
Rotatable Bond Count17
Exact Mass1084.54541379
Monoisotopic Mass1084.54541379
Topological Polar Surface Area416 Ų
Heavy Atom Count78
Formal Charge0
Complexity1980
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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