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DATPT

CAT: 0804-HY-145307-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-145307-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DATPT is a 12WLVSKF17 peptide-mimetic molecule. DATPT blocks the SNX9-p47phox interaction in the endosome and suppresses reactive oxygen species and inflammatory cytokine production. DATPT with anti-inflammatory and antibacterial functions has the potential for the research of sepsis[1].
CAS Number
2891582-75-3
UNSPSC
12352005
Target
Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/datpt.html
Purity
99.50
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
[NH3+]CCOCCOCCNC1=NC(NCC2OCCC2)=NC(C3=CC=C(C=C3)C(C)(C)C)=N1.[Cl-]
Molecular Formula
C24H39ClN6O3
Molecular Weight
495.06
References & Citations
[1]Lee D, et al. Discovery of Mycobacterium tuberculosis Rv3364c-Derived Small Molecules as Potential Therapeutic Agents to Target SNX9 for Sepsis. J Med Chem. 2022;65 (1) :386-408.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Datpt
CAS Number2891582-75-3
PubChem CID162679311
IUPAC Name2-[2-[2-[[4-(4-tert-butylphenyl)-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethylazanium chloride
Molecular FormulaC24H39ClN6O3
Molecular Weight495.1
Topological Polar Surface Area118
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Heavy Atom Count34
Formal Charge0
Complexity527
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NC(=NC(=N2)NCC3CCCO3)NCCOCCOCC[NH3+].[Cl-]
InChI
InChI=1S/C24H38N6O3.ClH/c1-24(2,3)19-8-6-18(7-9-19)21-28-22(26-11-14-32-16-15-31-13-10-25)30-23(29-21)27-17-20-5-4-12-33-20;/h6-9,20H,4-5,10-17,25H2,1-3H3,(H2,26,27,28,29,30);1H
InChIKey
VKKLNYQJVSKJHM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Datpt
CAS: 2891582-75-3
CID: 162679311
Formula: C24H39ClN6O3
MW: 495.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight495.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Exact Mass494.2772168
Monoisotopic Mass494.2772168
Topological Polar Surface Area118 Ų
Heavy Atom Count34
Formal Charge0
Complexity527
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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