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(-) -15-Deoxyspergualin

CAT: 0931-T72325-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T72325-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
89149-10-0
Target
Antibacterial, Others
Related Pathways
Others, Microbiology/Virology
Bioactivity
(-) -15-Deoxyspergualin is a potent antitumor agent that significantly inhibits mouse leukemia L-1210.
Smiles
N([C@H](C(NCCCCNCCCN)=O)O)C(CCCCCCNC(=N)N)=O
Molecular Formula
C17H37N7O3
Molecular Weight
387.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(-)-Gusperimus

Deoxyspergualin has been used in trials studying the treatment of Lupus Nephritis, Chronic Rejection, and Diabetes Mellitus, Type 1.

CAS Number89149-10-0
PubChem CID91272
IUPAC NameN-[(1S)-2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]-7-(diaminomethylideneamino)heptanamide
Molecular FormulaC17H37N7O3
Molecular Weight387.5
XLogP-2
Topological Polar Surface Area181
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count6
Rotatable Bond Count17
Heavy Atom Count27
Formal Charge0
Complexity429
SMILES
C(CCCN=C(N)N)CCC(=O)N[C@H](C(=O)NCCCCNCCCN)O
InChI
InChI=1S/C17H37N7O3/c18-9-7-11-21-10-5-6-12-22-15(26)16(27)24-14(25)8-3-1-2-4-13-23-17(19)20/h16,21,27H,1-13,18H2,(H,22,26)(H,24,25)(H4,19,20,23)/t16-/m0/s1
InChIKey
IDINUJSAMVOPCM-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of (-)-Gusperimus
CAS: 89149-10-0
CID: 91272
Formula: C17H37N7O3
MW: 387.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.5
XLogP3-2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count6
Rotatable Bond Count17
Exact Mass387.29578807
Monoisotopic Mass387.29578807
Topological Polar Surface Area181 Ų
Heavy Atom Count27
Formal Charge0
Complexity429
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-10939(-) -15-Deoxyspergualin
MBS5814759(-)-15-Deoxyspergualin
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TRC-D263420-1MG(-)-15-Deoxyspergualin Trihydrochloride
HY-10939A(-) -15-Deoxyspergualin (trihydrochloride)
412032-01(-) -15-Deoxyspergualin Trihydrochloride
MBS3606890-01Deoxyspergualin
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