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PRI-724

CAT: 0498-bs-6921C-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-6921C-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1422253-38-0
Conjugation
Unconjugated
Purity
98
Buffer
Powder
Solubility
Soluble in DMSO, not in water
Smiles
CN1CC(=O)N2[C@H]([C@H](C)N(CC3C=CC=C4C=CC=NC=34)C(=O)[C@@H]2CC2C=CC(=CC=2)OP(O)(O)=O)N1C(=O)NCC1C=CC=CC=1
Molecular Formula
C33 H35 N6 O7 P
Molecular Weight
658.64
InChI
InChI=1S/C33H35N6O7P/c1-22-31-38 (29 (40) 21-36 (2) 39 (31) 33 (42) 35-19-24-8-4-3-5-9-24) 28 (18-23-13-15-27 (16-14-23) 46-47 (43,44) 45) 32 (41) 37 (22) 20-26-11-6-10-25-12-7-17-34-30 (25) 26/h3-17,22,28,31H,18-21H2,1-2H3, (H,35,42) (H2,43,44,45) /t22-,28-,31-/m0/s1
Storage Conditions
Store in dry, dark place at -20C for 1 year.
Shelf Life
1 year
Appearance
Solid Power.

Chemical Information

Pri-724

PRI-724 is under investigation in clinical trial NCT03620474 (Safety and Effectiveness of PRI-724 for Hepatitis C or B Virus Derived Liver Cirrhosis).

CAS Number1422253-38-0
PubChem CID71509318
IUPAC Name[4-[[(6S,9S,9aS)-1-(benzylcarbamoyl)-2,9-dimethyl-4,7-dioxo-8-(quinolin-8-ylmethyl)-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazin-6-yl]methyl]phenyl] dihydrogen phosphate
Molecular FormulaC33H35N6O7P
Molecular Weight658.6
XLogP0.3
Topological Polar Surface Area156
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count47
Formal Charge0
Complexity1170
SMILES
C[C@H]1[C@H]2N([C@H](C(=O)N1CC3=CC=CC4=C3N=CC=C4)CC5=CC=C(C=C5)OP(=O)(O)O)C(=O)CN(N2C(=O)NCC6=CC=CC=C6)C
InChI
InChI=1S/C33H35N6O7P/c1-22-31-38(29(40)21-36(2)39(31)33(42)35-19-24-8-4-3-5-9-24)28(18-23-13-15-27(16-14-23)46-47(43,44)45)32(41)37(22)20-26-11-6-10-25-12-7-17-34-30(25)26/h3-17,22,28,31H,18-21H2,1-2H3,(H,35,42)(H2,43,44,45)/t22-,28-,31-/m0/s1
InChIKey
VHOZWHQPEJGPCC-AZXNYEMZSA-N
Chemical Structure
2D Structure
2D structure of Pri-724
CAS: 1422253-38-0
CID: 71509318
Formula: C33H35N6O7P
MW: 658.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight658.6
XLogP30.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass658.23048447
Monoisotopic Mass658.23048447
Topological Polar Surface Area156 Ų
Heavy Atom Count47
Formal Charge0
Complexity1170
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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sc-507535PRI-724
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