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Malformin C

CAT: 0013-GTR19190995-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190995-02Size:1 mg
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Description
Malformin C is a fungal bicyclic pentapeptide with antibacterial activity against Bacillus species. It potently reverses bleomycin-induced G2 arrest and colchicine-induced M phase arrest in Jurkat cells and inhibits growth in colon cancer cell lines, though it shows limited efficacy in mouse xenograft models.
CAS Number
59926-78-2
Field of Research
Immunology & Inflammation, Metabolism Research, Signal Transduction
Smiles
[H][C@@]12CSSC[C@@] ([H]) (NC (=O) [C@H] (CC (C) C) NC (=O) [C@@H] (CC (C) C) NC (=O) C (NC1=O) C (C) C) C (=O) N2 |@@:31|
Molecular Formula
C23H39N5O5S2
Molecular Weight
529.72
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Malformin C

Malformin B1b is an oligopeptide.

CAS Number59926-78-2
PubChem CID21635794
IUPAC Name(1S,4S,7R,10S,13S)-4,7-bis(2-methylpropyl)-10-propan-2-yl-15,16-dithia-2,5,8,11,19-pentazabicyclo[11.4.2]nonadecane-3,6,9,12,18-pentone
Molecular FormulaC23H39N5O5S2
Molecular Weight529.7
XLogP2.1
Topological Polar Surface Area196
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity807
SMILES
CC(C)C[C@H]1C(=O)N[C@@H]2CSSC[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC(C)C)C(C)C)NC2=O
InChI
InChI=1S/C23H39N5O5S2/c1-11(2)7-14-20(30)26-16-9-34-35-10-17(27-21(16)31)22(32)28-18(13(5)6)23(33)25-15(8-12(3)4)19(29)24-14/h11-18H,7-10H2,1-6H3,(H,24,29)(H,25,33)(H,26,30)(H,27,31)(H,28,32)/t14-,15+,16+,17+,18-/m0/s1
InChIKey
TZODYIWCRGWHQB-TZNCUMHOSA-N
Chemical Structure
2D Structure
2D structure of Malformin C
CAS: 59926-78-2
CID: 21635794
Formula: C23H39N5O5S2
MW: 529.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight529.7
XLogP32.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass529.23926171
Monoisotopic Mass529.23926171
Topological Polar Surface Area196 Ų
Heavy Atom Count35
Formal Charge0
Complexity807
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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