DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

Contact Supplier

Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

MARKET PLACE

1 APIs

marketPlace
1 APIs

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 284490-13-7, Forodesine hcl, Forodesine (hydrochloride), Bcx-1777, Bcx-1777 hydrochloride, 6sn82y9u73

Molecular Formula

C₁₁H₁₅ClN₄O₄

Molecular Weight

302.71 g/mol

InChI Key

WEIAMZKHBCLFOG-QPAIBFMUSA-N

FDA UNII

6SN82Y9U73

Forodesine Hydrochloride is the hydrochloride salt of the synthetic high-affinity transition-state analogue forodesine. Forodesine binds preferentially to and inhibits purine nucleotide phosphorylase (PNP), resulting in the accumulation of deoxyguanosine triphosphate and the subsequent inhibition of the enzyme ribonucleoside diphosphate reductase and DNA synthesis. This agent selectively causes apoptosis in stimulated or malignant T-lymphocytes. A transition state analogue is a substrate designed to mimic the properties or the geometry of the transition state of reaction.

1 2D Structure

284490-13-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride

2.1.2 InChI

InChI=1S/C11H14N4O4.ClH/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19;/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19);1H/t5-,7+,9-,10+;/m1./s1

2.1.3 InChI Key

WEIAMZKHBCLFOG-QPAIBFMUSA-N

2.1.4 Canonical SMILES

C1=C(C2=C(N1)C(=O)NC=N2)C3C(C(C(N3)CO)O)O.Cl

2.1.5 Isomeric SMILES

C1=C(C2=C(N1)C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O.Cl

2.2 Other Identifiers

2.2.1 UNII

6SN82Y9U73

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-(9-deazahypoxanthin-9-yl)-1,4-dideoxy-1,4-iminoribitol

2. Bcx-1777

3. Bcx1777

4. Forodesine

5. Immh Cpd

6. Immucillin H

7. Immucillin-h

2.3.2 Depositor-Supplied Synonyms

1. 284490-13-7

2. Forodesine Hcl

3. Forodesine (hydrochloride)

4. Bcx-1777

5. Bcx-1777 Hydrochloride

6. 6sn82y9u73

7. (-)-7-((2s,3s,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl)-1,5-dihydro-4h-pyrrolo(3,2-d)pyrimidin-4-one Monohydrochloride

8. 4h-pyrrolo(3,2-d)pyrimidin-4-one, 7-((2s,3s,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl)-1,5-dihydro-, Monohydrochloride

9. 7-[(2s,3s,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride

10. Immucillin-h Hydrochloride

11. Unii-6sn82y9u73

12. Forodesine Hydrochloride [usan]

13. Forodesine Hydrochloride [usan:jan]

14. Forodesinehydrochloride

15. Chembl550755

16. Schembl1949526

17. Schembl15525350

18. Dtxsid90182647

19. Forodesine Hydrochloride (jan/usan)

20. Forodesine Hydrochloride [mi]

21. Forodesine Hydrochloride [jan]

22. Cs-3780

23. Forodesine Hydrochloride [mart.]

24. Forodesine Hydrochloride [who-dd]

25. Hy-16209

26. D04245

27. Q27265452

28. 7-((2s,3s,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl)-3h-pyrrolo[3,2-d]pyrimidin-4-(5h)-one Hydrochloride

29. 7-[(2s,3s,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride

2.4 Create Date

2019-01-15

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₅ClN₄O₄
Molecular Weight	302.71 g/mol
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	130
Heavy Atom Count	20
Formal Charge	0
Complexity	404
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2