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RVD-Hpα (TFA)

CAT: 0804-HY-P1397A-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P1397A-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
RVD-Hpα TFA is the N-terminally extended form of human hemopressin that acts as a selective CB1 receptor agonist. RVD-Hpα TFA increases intracellular Ca2+ levels in cells expressing CB1 receptors in vitro. RVD-Hpα TFA also high affinity CB2 positive allosteric modulator (Ki=50 nM) .
CAS Number
1431329-51-9
UNSPSC
12352209
Target
Cannabinoid Receptor
Type
Peptides
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/rvd-hpα-tfa.html
Purity
99.32
Solubility
10 mM in DMSO
Smiles
OC(C(F)(F)F)=O.N=C(N)NCCC[C@H](N)C(N[C@@H](C(C)C)C(N[C@@H](CC(O)=O)C(N1[C@@H](CCC1)C(N[C@@H](C(C)C)C(N[C@@H](CC(N)=O)C(N[C@H](C(N[C@@H](CCCCN)C(N[C@@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@@H](CO)C(N[C@H](C(O)=O)CC2=CN=CN2)=O)=O)=O)=O)=O)CC3=CC=CC=C3)=O)=O)=O)=O)=O)=O
Molecular Formula
C67H106F3N19O19
Molecular Weight
1538.67
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture)
Scientific Category
Peptides
Clinical Information
No Development Reported
Isoform
CB1

Chemical Information

RVD-Hpalpha (TFA)
CAS Number1431329-51-9
PubChem CID171338352
IUPAC Name(3S)-4-[(2S)-2-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoic acid;2,2,2-trifluoroacetic acid
Molecular FormulaC67H106F3N19O19
Molecular Weight1538.7
Topological Polar Surface Area632
Hydrogen Bond Donor Count20
Hydrogen Bond Acceptor Count26
Rotatable Bond Count45
Heavy Atom Count108
Formal Charge0
Complexity2920
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)N.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C65H105N19O17.C2HF3O2/c1-33(2)24-41(55(91)76-42(25-34(3)4)56(92)81-47(31-85)59(95)80-46(64(100)101)27-38-30-71-32-73-38)75-54(90)40(19-12-13-21-66)74-57(93)43(26-37-16-10-9-11-17-37)77-58(94)44(28-49(68)86)78-61(97)52(36(7)8)83-60(96)48-20-15-23-84(48)63(99)45(29-50(87)88)79-62(98)51(35(5)6)82-53(89)39(67)18-14-22-72-65(69)70;3-2(4,5)1(6)7/h9-11,16-17,30,32-36,39-48,51-52,85H,12-15,18-29,31,66-67H2,1-8H3,(H2,68,86)(H,71,73)(H,74,93)(H,75,90)(H,76,91)(H,77,94)(H,78,97)(H,79,98)(H,80,95)(H,81,92)(H,82,89)(H,83,96)(H,87,88)(H,100,101)(H4,69,70,72);(H,6,7)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-;/m0./s1
InChIKey
YOAPGJLBELYWHN-WRVANEEBSA-N
Chemical Structure
2D Structure
2D structure of RVD-Hpalpha (TFA)
CAS: 1431329-51-9
CID: 171338352
Formula: C67H106F3N19O19
MW: 1538.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1538.7
Hydrogen Bond Donor Count20
Hydrogen Bond Acceptor Count26
Rotatable Bond Count45
Exact Mass1537.78644671
Monoisotopic Mass1537.78644671
Topological Polar Surface Area632 Ų
Heavy Atom Count108
Formal Charge0
Complexity2920
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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