1,1-(PROPANE-1,3-DIYL)BIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE)

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H20N8O4
Molecular Weight	400.3919
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,1-(PROPANE-1,3-DIYL)BIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE)

Structure Search

SMILES

CN1C=NC2=C1C(=O)N(CCCN3C(=O)N(C)C4=C(N(C)C=N4)C3=O)C(=O)N2C

InChI

InChIKey=KEPIKAFUZRKZMT-UHFFFAOYSA-N

InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C17H20N8O4
Molecular Weight	400.3919
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Potency
Endochitinase B1 1 Target ID: Q873X9 Gene ID: NA Gene Symbol: chiB1 Target Organism: Neosartorya fumigata (Aspergillus fumigatus) Sources: https://www.ncbi.nlm.nih.gov/pubmed/24900325	Inhibitor 8504	0.2 µM [IC50]
Chitotriosidase-1 1 Target ID: Q9D7Q1 Gene ID: 71884.0 Gene Symbol: Chit1 Target Organism: Mus musculus (Mouse) Sources: https://www.ncbi.nlm.nih.gov/pubmed/24900325	Inhibitor 8504	8.3 µM [IC50]
Acidic mammalian chitinase 1 Target ID: CHEMBL2052027 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24900325	Inhibitor 8504	3.4 µM [IC50]

PubMed

Title	Date	PubMed
Bisdionin C-a rationally designed, submicromolar inhibitor of family 18 chitinases.	2011-06-09	24900325

Substance Class	Chemical Created by `admin` on `Wed Apr 02 05:27:02 GMT 2025` Edited by `admin` on `Wed Apr 02 05:27:02 GMT 2025`
Record UNII	WT3HN8U2ZZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,1-(PROPANE-1,3-DIYL)BIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE)

Systematic Name

English

BISDIONIN C

Preferred Name

English

PENTOXIFYLLINE IMPURITY K [EP IMPURITY]

Common Name

English

1H-PURINE-2,6-DIONE, 1,1'-(1,3-PROPANEDIYL)BIS(3,7-DIHYDRO-3,7-DIMETHYL-

Systematic Name

English

Code System Code Type Description

CAS

74857-22-0

Created by admin on Wed Apr 02 05:27:02 GMT 2025 , Edited by admin on Wed Apr 02 05:27:02 GMT 2025

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PUBCHEM

5025063

Created by admin on Wed Apr 02 05:27:02 GMT 2025 , Edited by admin on Wed Apr 02 05:27:02 GMT 2025

PRIMARY

FDA UNII

WT3HN8U2ZZ

Created by admin on Wed Apr 02 05:27:02 GMT 2025 , Edited by admin on Wed Apr 02 05:27:02 GMT 2025

PRIMARY

Related Record Type Details


					SD6QCT3TSU

PENTOXIFYLLINE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: