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DAPTA

CAT: 0804-HY-P1034-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P1034-01Size:5 mg
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Description
DAPTA is a synthetic peptide, functions as a viral entry inhibitor by targeting selectively CCR5, and shows potent anti-HIV activities.
CAS Number
106362-34-9
Product Name Alternative
D-Ala-peptide T-amide; Adaptavir
UNSPSC
12352209
Hazard Statement
H302, H315, H319, H335
Target
CCR; HIV
Type
Peptides
Related Pathways
Anti-infection; GPCR/G Protein; Immunology/Inflammation
Applications
COVID-19-anti-virus
Field of Research
Infection; Endocrinology
Assay Protocol
https://www.medchemexpress.com/DAPTA.html
Purity
98.87
Solubility
H2O : 100 mg/mL (ultrasonic)
Smiles
OC1=CC=C(C[C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](C)N)=O)CO)=O)[C@@H](C)O)=O)[C@@H](C)O)=O)[C@@H](C)O)=O)CC(N)=O)=O)C(N[C@@H]([C@@H](C)O)C(N)=O)=O)C=C1
Molecular Formula
C35H56N10O15
Molecular Weight
856.88
Precautions
H302, H315, H319, H335
References & Citations
[1]Pollicita M, et al. Profound anti-HIV-1 activity of DAPTA in monocytes/macrophages and inhibition of CCR5-mediated apoptosis in neuronal cells. Antivir Chem Chemother. 2007;18 (5) :285-95.|[2]Polianova MT, et al. Chemokine receptor-5 (CCR5) is a receptor for the HIV entry inhibitor peptide T (DAPTA) . Antiviral Res. 2005 Aug;67 (2) :83-92.
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
Phase 2
Isoform
CCR5; HIV-1

Chemical Information

Dapta
CAS Number106362-34-9
PubChem CID184644
IUPAC Name(2S)-N-[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]butanediamide
Molecular FormulaC35H56N10O15
Molecular Weight856.9
XLogP-6.9
Topological Polar Surface Area437
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count16
Rotatable Bond Count24
Heavy Atom Count60
Formal Charge0
Complexity1530
SMILES
C[C@H]([C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@@H](C)N)O
InChI
InChI=1S/C35H56N10O15/c1-13(36)29(54)41-22(12-46)32(57)43-26(16(4)49)34(59)45-27(17(5)50)35(60)44-25(15(3)48)33(58)40-21(11-23(37)52)30(55)39-20(10-18-6-8-19(51)9-7-18)31(56)42-24(14(2)47)28(38)53/h6-9,13-17,20-22,24-27,46-51H,10-12,36H2,1-5H3,(H2,37,52)(H2,38,53)(H,39,55)(H,40,58)(H,41,54)(H,42,56)(H,43,57)(H,44,60)(H,45,59)/t13-,14-,15-,16-,17-,20+,21+,22+,24+,25+,26+,27+/m1/s1
InChIKey
AKWRNBWMGFUAMF-ZESMOPTKSA-N
Chemical Structure
2D Structure
2D structure of Dapta
CAS: 106362-34-9
CID: 184644
Formula: C35H56N10O15
MW: 856.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight856.9
XLogP3-6.9
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count16
Rotatable Bond Count24
Exact Mass856.39266112
Monoisotopic Mass856.39266112
Topological Polar Surface Area437 Ų
Heavy Atom Count60
Formal Charge0
Complexity1530
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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