Prodrug Information
| Prodrug General Information | Top | |||||
|---|---|---|---|---|---|---|
| Prodrug ID |
DMNA18
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| Prodrug Name |
Amifostine
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| Synonyms |
AU-95722; Amifostina; Amifostine; Amifostine Ethiofos; Amifostine disulfide; Amifostine,(S); Aminopropylaminoethyl thiophosphate; Apaetp; CHEMBL1006; Ethiofos; Ethyol; Gammaphos; S 8744; Sapep; WR 2721; WR 2721C; WR-2721; WR-2721 TRIHYDRATE; WR2721; YM 08310; YM-08310
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| Indication | Mucositis [ICD-11: CA00; ICD-10: J00; ICD-9: 528] | Approved | [1] | |||
| Activation |
Prodrug 
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Parent Drug 
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| 2D MOL 3D MOL | 2D MOL 3D MOL | |||||
|
(1) Bioconversion Enzyme:
Alkaline phosphatase in normal endothelium
(EC 3.1)
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[2] | |||||
| Prodrug Strategy |
Classical prodrug strategy
[Carrier linked prodrug]
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| Improved property |
Achieve targeted delivery to tumor
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[2] | ||||
| Description |
The hypovascularity and acidity of the tumor environment and the differential expression of alkaline phosphatase in normal and neoplastic tissues contribute to its cytoprotective selectivity.
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[2] | ||||
| Formula |
C5H15N2O3PS
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| Canonical SMILES |
C(CN)CNCCSP(=O)(O)O
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| InChI |
1S/C5H15N2O3PS/c6-2-1-3-7-4-5-12-11(8,9)10/h7H,1-6H2,(H2,8,9,10)
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| InChIKey |
JKOQGQFVAUAYPM-UHFFFAOYSA-N
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| CAS Number |
CAS 20537-88-6
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| PubChem Compound ID | ||||||
| ChEBI ID |
CHEBI:2636
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| Parent Drug General Information | Top | |||||
|---|---|---|---|---|---|---|
| Parent Drug ID |
D16MLK
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| Parent Drug Name |
WR-1065
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| Synonyms |
WR 1065; 2-((3-Aminopropyl)amino)ethanethiol; WR-1065; 2-(3-aminopropylamino)ethanethiol; 2-[(3-aminopropyl)amino]ethanethiol; UNII-05P3K9I49L; BRN 2069586; N-(2-mercaptoethyl)-1,3-diaminopropane; Ethanethiol, 2-[(3-aminopropyl)amino]-; CHEBI:72583; 05P3K9I49L; NSC647527; 2-[(3-aminopropyl)amino]ethane-1-thiol; Ethanethiol, 2-((3-aminopropyl)amino)-; 2-((3-Aminopropyl)amino)ethyl hydrosulfide; Amifostine thiol; WR1065; SCHEMBL38865; CHEMBL1201382; CTK4G6389; DTXSID90953197; ZINC4097420; n-2-mercaptoethyl-1,3-diaminopropane; AKOS006273087; NSC-647527; Ethanethiol,2-[(3-aminopropyl)amino]-; n-(2-mercaptoethyl)-1,3-propanediamine; LS-65769; NCI60_003068; NCI60_016501; FT-0700628; C07651; Q27104998
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| Formula |
C5H14N2S
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| Canonical SMILES |
C(CN)CNCCS
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| InChI |
1S/C5H14N2S/c6-2-1-3-7-4-5-8/h7-8H,1-6H2
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| InChIKey |
YHPLKWQJMAYFCN-UHFFFAOYSA-N
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| CAS Number |
CAS 31098-42-7
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| PubChem Compound ID | ||||||
| ChEBI ID |
CHEBI:72583
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| References | Top | |||||
|---|---|---|---|---|---|---|
| REF 1 | Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 1999 | |||||
| REF 2 | Amifostine: the first selective-target and broad-spectrum radioprotector. Oncologist. 2007 Jun;12(6):738-47. | |||||
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