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1 Drugs in Development

1 Drugs in Development

Synopsis

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Chemistry

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Also known as: Tin ethyl etiopurpurin, Purlytin, Snet2, Rostaporfin [mi], Rostaporfin [inn], Rostaporfin [usan]

Molecular Formula

C₃₇H₄₂Cl₂N₄O₂Sn-₄

Molecular Weight

764.4 g/mol

InChI Key

XRJWACZWBZYJTB-HQTZEDFWSA-K

FDA UNII

466G63QE7G

Tin Ethyl Etiopurpurin is a synthetic purpurin with photosensitizing activity. Tin ethyl etiopurpurin preferentially accumulates in tumor cells due to an increased rate of metabolism. Upon exposure to a light source, this agent absorbs light, forming an extended high energy conformational state that produces high quantum yields of singlet oxygen with local cytotoxic effects. (NCI04)

1 2D Structure

Rostaporfin

2 Identification

2.1 Computed Descriptors

2.1.1 InChI

InChI=1S/C37H43N4O2.2ClH.Sn/c1-10-23-19(6)29-17-33-25(12-3)21(8)34(40-33)26-15-27(36(42)43-14-5)37(13-4)22(9)30(41-35(26)37)18-32-24(11-2)20(7)28(39-32)16-31(23)38-29;;;/h15-18,22H,10-14H2,1-9H3,(H-,38,39,40,41,42);2*1H;/q-1;;;/p-3/t22-,37-;;;/m1.../s1

2.1.2 InChI Key

XRJWACZWBZYJTB-HQTZEDFWSA-K

2.2 Other Identifiers

2.2.1 UNII

466G63QE7G

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Etiopurpurin, Tin

2. Snet2

3. Tin Etiopurpurin

4. Tin Etiopurpurin Dichloride

2.3.2 Depositor-Supplied Synonyms

1. Tin Ethyl Etiopurpurin

2. Purlytin

3. Snet2

4. Rostaporfin [mi]

5. Rostaporfin [inn]

6. Rostaporfin [usan]

7. Snet-2

8. Rostaporfin [mart.]

9. 466g63qe7g

10. (oc-6-13)-dichloro(rel-ethyl(18r,19s)-3,4,20,21-tetradehydro-4,9,14,19-tetraethyl-18,19-dihydro-3,8,13,18-tetramethyl-20-phorbinecarboxylato(2-)-.kappa.n(sup 23), .kappa.n(sup 24), .kappa.n(sup 25), .kappa.n(sup 26))tin

11. Tin, Dichloro(rel-ethyl (18r,19s)-3,4,20,21-tetradehydro-4,9,14,19-tetraethyl-18,19-dihydro-3,8,13,18-tetramethyl-20-phorbinecarboxylato(2-)-.kappa.n23,.kappa.n24,.kappa.n25,.kappa.n26)-, (oc-6-13)-

12. Tin, Dichloro(rel-ethyl(18r,19s)-3,4,20,21-tetradehydro-4,9,14,19-tetraethyl-18,19-dihydro-3,8,13,18-tetramethyl-20-phorbinecarboxylato(2-)-.kappa.-n(sup 23),-.kappa.-n(sup 24),-.kappa.-n(sup 25),-.kappa.-n(sup 26))-, (oc-6-13)-

2.4 Create Date

2021-02-16

3 Chemical and Physical Properties

Molecular Formula	C₃₇H₄₂Cl₂N₄O₂Sn-₄
Molecular Weight	764.4 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	54.1
Heavy Atom Count	46
Formal Charge	-4
Complexity	1050
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	4

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Photosensitizing Agents

Drugs that are pharmacologically inactive but when exposed to ultraviolet radiation or sunlight are converted to their active metabolite to produce a beneficial reaction affecting the diseased tissue. These compounds can be administered topically or systemically and have been used therapeutically to treat psoriasis and various types of neoplasms. (See all compounds classified as Photosensitizing Agents.)

Radiation-Sensitizing Agents

Drugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells. (See all compounds classified as Radiation-Sensitizing Agents.)

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