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H-20

CAT: 0804-HY-P10908-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P10908-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
H-20 is a PD-1 agonist. H-20 can be used in the research of chronic pain[1].
CAS Number
3020015-02-2
UNSPSC
12352209
Target
PD-1/PD-L1
Related Pathways
Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Others
Purity
99.55
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
OC(C=C1)=CC=C1C[C@@H](C(N[C@H](C(O)=O)CCCCN)=O)NC([C@H](CC(O)=O)NC([C@H](C)NC(CNC(CNC([C@@H](NC([C@H](CO)NC([C@@H](N)[C@@H](C)CC)=O)=O)CC2=CC=C(C=C2)O)=O)=O)=O)=O)=O
Molecular Formula
C44H64N10O15
Molecular Weight
973.04
References & Citations
[1]Song X, et al. Enhanced Analgesic Efficacy and Reduced Side Effects of Morphine by Combination with PD-1 Agonist. ACS Chem Neurosci. 2025 Feb 5;16 (3) :490-499.
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

Chemical Information

H-20 peptide
CAS Number3020015-02-2
PubChem CID175678593
IUPAC Name(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid
Molecular FormulaC44H64N10O15
Molecular Weight973.0
XLogP-6.5
Topological Polar Surface Area420
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count17
Rotatable Bond Count30
Heavy Atom Count69
Formal Charge0
Complexity1740
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCCN)C(=O)O)N
InChI
InChI=1S/C44H64N10O15/c1-4-23(2)37(46)43(67)54-33(22-55)42(66)52-30(17-25-8-12-27(56)13-9-25)39(63)48-20-34(58)47-21-35(59)49-24(3)38(62)51-32(19-36(60)61)41(65)53-31(18-26-10-14-28(57)15-11-26)40(64)50-29(44(68)69)7-5-6-16-45/h8-15,23-24,29-33,37,55-57H,4-7,16-22,45-46H2,1-3H3,(H,47,58)(H,48,63)(H,49,59)(H,50,64)(H,51,62)(H,52,66)(H,53,65)(H,54,67)(H,60,61)(H,68,69)/t23-,24-,29-,30-,31-,32-,33-,37-/m0/s1
InChIKey
UVFJQIBNIVDIKQ-IJICPDOISA-N
Chemical Structure
2D Structure
2D structure of H-20 peptide
CAS: 3020015-02-2
CID: 175678593
Formula: C44H64N10O15
MW: 973.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight973.0
XLogP3-6.5
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count17
Rotatable Bond Count30
Exact Mass972.45526137
Monoisotopic Mass972.45526137
Topological Polar Surface Area420 Ų
Heavy Atom Count69
Formal Charge0
Complexity1740
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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