Basic information
- CAS
89149-10-0- Standard SMILES
NCCCNCCCCNC(=O)[C@H](O)NC(=O)CCCCCCN=C(N)N- InChIKey
IDINUJSAMVOPCM-INIZCTEOSA-N- Molecular formula
- C17H37N7O3
- Average molar mass
- 387.5 g/mol
- Monoisotopic mass
- 387.29578807
Overview
Deoxyspergualin has been used in trials studying the treatment of Lupus Nephritis, Chronic Rejection, and Diabetes Mellitus, Type 1.
Names & identifiers
- Preferred name
- (-)-Gusperimus
- IUPAC
- N-[(1S)-2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]-7-(diaminomethylideneamino)heptanamide
- English name
- (S)-15-Deoxyspergualin
- Molecular weight
- 0
Names & synonyms
Deoxyspergualin(-)-15-Deoxyspergualin(-)-Gusperimus89149-10-057F9XM233RHeptanamide, 7-((aminoiminomethyl)amino)-N-((1S)-2-((4-((3-aminopropyl)amino)butyl)amino)-1-hydroxy-2-oxoethyl)-DTXSID70237548Heptanamide, 7-((aminoiminomethyl)amino)-N-(2-((4-((3-aminopropyl)amino)butyl)amino)-1-hydroxy-2-oxoethyl)-, (S)-RefChem:905557DTXCID20160039N-((S)-((4-((3-aminopropyl)amino)butyl)carbamoyl)(hydroxy)methyl)-7-carbamimidamidoheptanamideUNII-57F9XM233R
Show more names
N-[(S)-1-Hydroxy-2-oxo-2-[[4-[(3-aminopropyl)amino]butyl]amino]ethyl]-7-guanidinoheptanamide7-Guanidino-N-[(S)-2-[[4-[(3-aminopropyl)amino]butyl]amino]-1-hydroxy-2-oxoethyl]heptanamideHeptanaMide, 7-[(aMinoiMinoMethyl)aMino]-N-[(1S)-2-[[4-[(3-aMinopropyl)aMino]butyl]aMino]-1-hydroxy-2-oxoethyl]-
N-[(1S)-2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]-7-(diaminomethylideneamino)heptanamide(S)-15-Deoxyspergualin15-DesoxyspergualinGUSPERIMUS, (S)-GUSPERIMUS (-)-FORMHeptanamide,7-[(aminoiminomethyl)amino]-N-[(1S)-2-[[4-[(3-aminopropyl)amino]butyl]amino]-1-hydroxy-2-oxoethyl]-orb1744973SCHEMBL8656104
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 17
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 429
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Solubility
H2O > 100 (mg/mL)
0.1N NaOH > 100 (mg/mL)
0.1N HCl > 100 (mg/mL)
95% EtOH > 100 (mg/mL)
MeOH > 100 (mg/mL)
DMSO > 100 (mg/mL)
Stability/Shelf LifeBulk: Samples stored at 25 °C for 3 months show 5-8% decomposition (HPLC).
Solution: As a 2 mg/mL solution in water at 25 °C, 15- deoxyspergualin is stable for at least 28 hrs under ordinary laboratory conditions (HPLC).
Physicochemical properties
- FDA UNII
- 57 F9XM233R · 57F9XM233R
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms.
Substances which lower blood glucose levels.
Agents that suppress immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-CELLS or by inhibiting the activation of HELPER CELLS. While immunosuppression has been brought about in the past primarily to prevent rejection of transplanted organs, new applications involving mediation of the effects of INTERLEUKINS and other CYTOKINES are emerging.
Drugs used to protect against ionizing radiation. They are usually of interest for use in radiation therapy but have been considered for other purposes, e.g. military.
Applications
Uses(-)-15-Deoxyspergualin is a potent antitumor agent. (-)-15-Deoxyspergualin shows strong inhibition against mouse leukemia L-1210[1].
Suppliers3 total
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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