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Gilvusmycin

CAT: 0013-GTR19255689-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255689-02Size:10 mg
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Description
Gilvusmycin is an antibiotic with potent antitumor properties. It effectively inhibits the proliferation of P388, K562, A431, and MKN28 cells, with IC50 values (ng/mL) of 0.08, 0.86, 0.72, and 0.75, respectively.
CAS Number
195052-09-6
Field of Research
Infectious Disease & Virology
Smiles
C (=O) (N1C=2C3 (C (C3) C1) C4=C (C (=O) C2) NC=C4C) C5=CC6=C (N5) C (OC) =C (O) C7=C6CCN7C (=O) C8=CC9=C (N8) C (OC) =C (O) C%10=C9CCN%10C (C) =O
Molecular Formula
C38H34N6O8
Molecular Weight
702.712
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Gilvusmycin

Gilvusmycin is an antibiotic isolated from the culture broth of Streptomyces sp. QM16 with potent cytotoxic activity against the human tumor cells. It has a role as a metabolite, an antimicrobial agent and an antineoplastic agent. It is a member of phenols, an aromatic ether, a bridged compound, an organonitrogen heterocyclic compound and a cyclic ketone.

CAS Number195052-09-6
PubChem CID9810316
IUPAC Name10-[6-(6-acetyl-5-hydroxy-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-5-hydroxy-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-3-methyl-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-7-one
Molecular FormulaC38H34N6O8
Molecular Weight702.7
XLogP3
Topological Polar Surface Area184
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count52
Formal Charge0
Complexity1610
SMILES
CC1=CNC2=C1C34CC3CN(C4=CC2=O)C(=O)C5=CC6=C7CCN(C7=C(C(=C6N5)OC)O)C(=O)C8=CC9=C1CCN(C1=C(C(=C9N8)OC)O)C(=O)C
InChI
InChI=1S/C38H34N6O8/c1-15-13-39-29-24(46)11-25-38(26(15)29)12-17(38)14-44(25)37(50)23-10-21-19-6-8-43(31(19)33(48)35(52-4)28(21)41-23)36(49)22-9-20-18-5-7-42(16(2)45)30(18)32(47)34(51-3)27(20)40-22/h9-11,13,17,39-41,47-48H,5-8,12,14H2,1-4H3
InChIKey
XUBJLJZOSKJNMY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gilvusmycin
CAS: 195052-09-6
CID: 9810316
Formula: C38H34N6O8
MW: 702.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight702.7
XLogP33
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass702.24381206
Monoisotopic Mass702.24381206
Topological Polar Surface Area184 Ų
Heavy Atom Count52
Formal Charge0
Complexity1610
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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