N-[(1S)-2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]-7-(diaminomethylideneamino)heptanamide
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N-[(1S)-2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]-7-(diaminomethylideneamino)heptanamide
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CAS No:
89149-10-0
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Formula:
C17H37N7O3
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Chemical Name:
N-[(1S)-2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]-7-(diaminomethylideneamino)heptanamide
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Synonyms:
1-amino-19-guanidino-11-hydroxy-4,9,12-triazanonadecane-10,13-dione;15-deoxyspergualin;deoxyspergualin;gusperimus;gusperimus trihydrochloride;gusperimus, (+-)-isomer;NKT-01;Deoxyspergualin;(-)-Gusperimus;89149-10-0;UNII-57F9XM233R;57F9XM233R;Heptanamide,7-[(aminoiminomethyl)amino]-N-[(1S)-2-[[4-[(3-aminopropyl)amino]butyl]amino]-1-hydroxy-2-oxoethyl]-;(-)-15-Deoxyspergualin;15-Desoxyspergualin;SCHEMBL8656104;CHEMBL1172736;DTXSID70237548;ZINC4215557;DB12991;N-[(1S)-2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]-7-(diaminomethylideneamino)heptanamide;Q27261503;UNII-UJ0ZJ76DO9 component IDINUJSAMVOPCM-INIZCTEOSA-N;Heptanamide, 7-((aminoiminomethyl)amino)-N-(2-((4-((3-aminopropyl)amino)butyl)amino)-1-hydroxy-2-oxoethyl)-, (S)-
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CAS No:
Description
Deoxyspergualin has been used in trials studying the treatment of Lupus Nephritis, Chronic Rejection, and Diabetes Mellitus, Type 1.
N-[(1S)-2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]-7-(diaminomethylideneamino)heptanamide Basic Attributes
387.5 g/mol
387.29578807 g/mol
57F9XM233R
DTXSID70237548
Characteristics
181 Ų
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)|CHCl3 < 0.2 (mg/mL)
Safety Information
Bulk: 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).
Drug Information
Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms. (See all compounds classified as Antibiotics, Antineoplastic.)|Substances which lower blood glucose levels. (See all compounds classified as Hypoglycemic Agents.)|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. (See all compounds classified as Immunosuppressive Agents.)|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. (See all compounds classified as Radiation-Protective Agents.)
1-amino-19-guanidino-11-hydroxy-4,9,12-triazanonadecane-10,13-dione
Computed Properties
Molecular Weight:387.5
XLogP3:-2
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:17
Exact Mass:387.29578807
Monoisotopic Mass:387.29578807
Topological Polar Surface Area:181
Heavy Atom Count:27
Complexity:429
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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