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D[Leu4, Lys8]-VP

CAT: 1410-M30782Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M30782Size:1 Each
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Description
Selective vasopressin V1B receptor agonist (Ki values are 0.16, 64, 100 and 3800 nM for V1B, oxytocin, V2 and V1A receptors respectively) . Displays weak antidiuretic, vasopressor and in vitro oxytocic activities.
CAS Number
42061-33-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
1026.2
Molecular Formula
C47H67N11O11S2
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Vasopressin, 1-deamino-leu(4)-lys(8)-
CAS Number42061-33-6
PubChem CID44419030
IUPAC Name(2S)-N-[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-10-(2-methylpropyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Molecular FormulaC47H67N11O11S2
Molecular Weight1026.2
XLogP-0.6
Topological Polar Surface Area407
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count14
Rotatable Bond Count18
Heavy Atom Count71
Formal Charge0
Complexity1850
SMILES
CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC3=CC=C(C=C3)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N)CC(=O)N
InChI
InChI=1S/C47H67N11O11S2/c1-27(2)21-32-42(64)56-35(24-38(49)60)45(67)57-36(47(69)58-19-8-12-37(58)46(68)53-31(11-6-7-18-48)41(63)51-25-39(50)61)26-71-70-20-17-40(62)52-33(23-29-13-15-30(59)16-14-29)43(65)55-34(44(66)54-32)22-28-9-4-3-5-10-28/h3-5,9-10,13-16,27,31-37,59H,6-8,11-12,17-26,48H2,1-2H3,(H2,49,60)(H2,50,61)(H,51,63)(H,52,62)(H,53,68)(H,54,66)(H,55,65)(H,56,64)(H,57,67)/t31-,32-,33-,34-,35-,36-,37-/m0/s1
InChIKey
QGZMLGLFLYCDQT-PEAOEFARSA-N
Chemical Structure
2D Structure
2D structure of Vasopressin, 1-deamino-leu(4)-lys(8)-
CAS: 42061-33-6
CID: 44419030
Formula: C47H67N11O11S2
MW: 1026.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1026.2
XLogP3-0.6
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count14
Rotatable Bond Count18
Exact Mass1025.44629434
Monoisotopic Mass1025.44629434
Topological Polar Surface Area407 Ų
Heavy Atom Count71
Formal Charge0
Complexity1850
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-P1163D[LEU4, LYS8]-VP
B5383-1d[Leu4,Lys8]-VP
T75826-01D[LEU4, LYS8]-VP TFA
TP1927L1-01D[Leu4, Lys8]-VP acetate
MBS5817734D[LEU4,LYS8]-VP TFA
HY-P1163A-01D[LEU4, LYS8]-VP (TFA)
MBS5789473d[Leu4,Lys8]-VP acetate
H-6632.0001(Deamino-Cys1,Leu4,Lys8)-Vasopressin
FD109910-01(Deamino-Cys1, Leu4, Lys8) -Vasopressin trifluoroacetate salt
RM-M203011-01[D-Lys8 (Ac) ]Motixafortide

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