PADELIPORFIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H43N5O9S.Pd
Molecular Weight	840.25
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Pd++].[H][C@@]1(CC)[C@@H](C)C2=CC3=C(C(C)=O)C(C)=C([N-]3)C=C4N=C(C(CC(=O)OC)=C5[N-]C(=CC1=N2)C(C)=C5C(=O)NCCS(O)(=O)=O)[C@@]([H])(CCC(O)=O)[C@]4([H])C

InChI

InChIKey=MZRDSGWDVDESRC-VNWQTDIGSA-L

InChI=1S/C37H45N5O9S.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/p-2/t17-,18+,22-,23+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C37H43N5O9S
Molecular Weight	733.83
Charge	-2
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Pd
Molecular Weight	106.42
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.cancer.gov/publications/dictionaries/cancer-drug/def/padeliporfin | https://www.ema.europa.eu/en/documents/product-information/tookad-epar-product-information_en.pdf | https://www.ncbi.nlm.nih.gov/pubmed/28007457

Padeliporfin is a vascular-acting photosensitizer consisting of a water-soluble, palladium-substituted bacteriochlorophyll derivative with antineoplastic activity. After administration, the drug is activated locally when the tumor bed is exposed to low-power laser light; reactive oxygen species (ROS) are formed upon activation and ROS-mediated necrosis may occur at the site of interaction between the photosensitizer, light and oxygen. Padeliporfin is approved in Europe for the treatment of adult patients with previously untreated, unilateral, low-risk, adenocarcinoma of the prostate and is marketed under tradename TOOKAD.

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:39:20 UTC 2023` Edited by `admin` on `Fri Dec 15 19:39:20 UTC 2023`
Record UNII	EEO29FZT86
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PADELIPORFIN

Official Name

English

PADELIPORFIN [MI]

Common Name

English

(SP-4-2)-[(7S,8S,17R,18R)-13-Acetyl-18-ethyl-7,8-dihydro-5-(2-methoxy-2-oxoethyl)-2,8,12,17-tetramethyl-3-[(2-sulfoethyl)carbamoyl]-21H,23H-porphine-7-propanoato(4-)-κN21,κN22,κN23,κN24]-palladate(2-)

Systematic Name

English

PADELIPORFIN [USAN]

Common Name

English

WST-11

Code

English

padeliporfin [INN]

Common Name

English

PALLADATE(2-), ((7S,8S,17R,18R)-13-ACETYL-18-ETHYL-7,8-DIHYDRO-5-(2-METHOXY-2-OXOETHYL)-2,8,12,17-TETRAMETHYL-3-(((2-SULFOETHYL)AMINO)CARBONYL)-21H,23H-PORPHINE-7-PROPANOATO(4-)-.KAPPA.N21,.KAPPA.N22,.KAPPA.N23,.KAPPA.N24)-, (SP-4-2)-

Systematic Name

English

WST11

Code

English

Padeliporfin [WHO-DD]

Common Name

English

DIHYDROGEN (3-((7S,8S,17R,18R)-13-ACETYL-18-ETHYL-5-(-2-METHOXY-2-OXOETHYL)-2,8,12,17-TETRAMETHYL-3-((2-SULFONATOETHYL)CARBAMOYL)-7,8,17,18-TETRAHYDROPORPHYRIN-7-YL)PROPANOATO)PALLADIUM

Common Name

English

Classification Tree Code System Code

WHO-ATC

L01XD07