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Draflazine

CAT: 0931-T15167-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T15167-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
120770-34-5
Target
Others, Adenosine Receptor
Related Pathways
Others, Neuroscience, GPCR/G Protein
Bioactivity
Draflazine is an ENT1 inhibitor. It completely reverses the hypersensitivity in the complete Freund's adjuvant (CFA) model of mechanical hyperalgesia. Draflazine also completely reverses the hypersensitivity of the carrageenan inflammation model of thermal and mechanical hyperalgesia.
Smiles
C(CCCCN1CC(C(N)=O)N(CC(NC2=C(Cl)C=C(N)C=C2Cl)=O)CC1)(C3=CC=C(F)C=C3)C4=CC=C(F)C=C4
Molecular Formula
C30H33Cl2F2N5O2
Molecular Weight
604.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Draflazine

a nucleoside transport inhibitor; has cardioprotective effect; draflazine is the (-)-enantiomer; R 88016 is the (+)-enantiomer

CAS Number120770-34-5
PubChem CID60849
IUPAC Name1-[2-(4-amino-2,6-dichloroanilino)-2-oxoethyl]-4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide
Molecular FormulaC30H33Cl2F2N5O2
Molecular Weight604.5
XLogP5.4
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count41
Formal Charge0
Complexity810
SMILES
C1CN(C(CN1CCCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)N)CC(=O)NC4=C(C=C(C=C4Cl)N)Cl
InChI
InChI=1S/C30H33Cl2F2N5O2/c31-25-15-23(35)16-26(32)29(25)37-28(40)18-39-14-13-38(17-27(39)30(36)41)12-2-1-3-24(19-4-8-21(33)9-5-19)20-6-10-22(34)11-7-20/h4-11,15-16,24,27H,1-3,12-14,17-18,35H2,(H2,36,41)(H,37,40)
InChIKey
IWMYIWLIESDFRZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Draflazine
CAS: 120770-34-5
CID: 60849
Formula: C30H33Cl2F2N5O2
MW: 604.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight604.5
XLogP35.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass603.1979370
Monoisotopic Mass603.1979370
Topological Polar Surface Area105 Ų
Heavy Atom Count41
Formal Charge0
Complexity810
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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