Padeliporfin potassiumProduct ingredient for Padeliporfin
- Name
- Padeliporfin potassium
- Drug Entry
- Padeliporfin
Padeliporfin is a water-soluble chlorophyll derivative and cytotoxic photosensitizer used for vascular-targeted photodynamic therapy for malignancies.1 Vascular-targeted photodynamic therapy (VTP), or vascular targeted photochemotherapy, is a focal treatment for localized prostate cancer. It aims to destroy only cancerous lesions of the prostate, rather than ablating the entire prostate gland.2 Padeliporfin was first approved by the European Commission on November 10, 2017, for the treatment of low-risk prostate cancer in adults meeting certain clinical criteria.4
- Accession Number
- DBSALT003133
- Structure
Structure for Padeliporfin potassium (DBSALT003133)
- Synonyms
- Padeliporfin dipotassium / Padeliporfin potassium
- External IDs
- WST-11 Dipotassium
- UNII
- JQ72VD4XUL
- CAS Number
- 698393-30-5
- Weight
- Average: 916.44
Monoisotopic: 915.093392 - Chemical Formula
- C37H41K2N5O9PdS
- InChI Key
- AOSMIFSJINLACN-NAEAMVODSA-J
- InChI
- InChI=1S/C37H45N5O9S.2K.Pd/c1-8-22-17(2)25-16-30-33(21(6)43)19(4)27(40-30)14-26-18(3)23(9-10-31(44)45)35(41-26)24(13-32(46)51-7)36-34(37(47)38-11-12-52(48,49)50)20(5)28(42-36)15-29(22)39-25;;;/h14-18,22-23H,8-13H2,1-7H3,(H5,38,39,40,41,42,43,44,45,47,48,49,50);;;/q;2*+1;+2/p-4/t17-,18+,22-,23+;;;/m1.../s1
- IUPAC Name
- palladium(2+) dipotassium (4S,5S,14R,15R)-10-acetyl-4-(2-carboxylatoethyl)-15-ethyl-2-(2-methoxy-2-oxoethyl)-5,9,14,19-tetramethyl-20-[(2-sulfonatoethyl)carbamoyl]-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),6,8,10,12,16(22),17,19-nonaene-21,23-diide
- SMILES
- [K+].[K+].[Pd++].CC[C@@H]1[C@@H](C)\C2=C\C3=C(C(C)=O)C(C)=C([N-]3)\C=C3/N=C([C@@H](CCC([O-])=O)[C@@H]3C)/C(/CC(=O)OC)=C3\[N-]\C(=C/C1=N2)C(C)=C3C(=O)NCCS([O-])(=O)=O
- External Links
- ChemSpider
- 65791543
- Predicted Properties
Property Value Source Water Solubility 0.0271 mg/mL ALOGPS logP 3.87 ALOGPS logP -0.27 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) -1.2 Chemaxon pKa (Strongest Basic) 6.03 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 12 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 221.36 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 203.21 m3·mol-1 Chemaxon Polarizability 78 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon