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Phortress

CAT: 1410-M14071-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M14071-05Size:50 mg
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Description
The L-lysylamide prodrug of 5F-203 (NSC703786), a potent, selective antitumour agent through activation the aryl hydrocarbon receptor (AhR) pathway.
CAS Number
328087-38-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
459.405
Molecular Formula
C20H25Cl2FN4OS
Notes
Research use only, not for human use.
Receptor
AhR

Chemical Information

Phortress

structure in first source

CAS Number328087-38-3
PubChem CID9804228
IUPAC Name(2S)-2,6-diamino-N-[4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methylphenyl]hexanamide;dihydrochloride
Molecular FormulaC20H25Cl2FN4OS
Molecular Weight459.4
Topological Polar Surface Area122
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity497
SMILES
CC1=C(C=CC(=C1)C2=NC3=C(S2)C=CC(=C3)F)NC(=O)[C@H](CCCCN)N.Cl.Cl
InChI
InChI=1S/C20H23FN4OS.2ClH/c1-12-10-13(20-25-17-11-14(21)6-8-18(17)27-20)5-7-16(12)24-19(26)15(23)4-2-3-9-22;;/h5-8,10-11,15H,2-4,9,22-23H2,1H3,(H,24,26);2*1H/t15-;;/m0../s1
InChIKey
QZSMNTOCJVVFEU-CKUXDGONSA-N
Chemical Structure
2D Structure
2D structure of Phortress
CAS: 328087-38-3
CID: 9804228
Formula: C20H25Cl2FN4OS
MW: 459.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass458.1110162
Monoisotopic Mass458.1110162
Topological Polar Surface Area122 Ų
Heavy Atom Count29
Formal Charge0
Complexity497
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

Alternative Products

CatalogName
A8614-50Phortress
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A18458-100Phortress 100mg
A18458-10Phortress 10mg
A18458-50Phortress 50mg
A18458-5Phortress 5mg
HY-128920Phortress (free base)
T12449-01Phortress free base

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