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Keenamide A

CAT: 0013-GTR19223433-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19223433-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Keenamide A is a cytotoxic cyclic hexapeptide with demonstrated in vitro activity against several tumor cell lines, including P-388, A-549, MEL-20, and HT-29. It is a candidate for anticancer research but showed no activity against the tested Plasmodium falciparum malarial clones.
CAS Number
177742-52-8
Smiles
[H][C@@]12CSC (=N1) [C@H] (CC (C) C) NC (=O) [C@H] (COC (C) (C) C=C) NC (=O) CNC (=O) [C@]1 ([H]) CCCN1C (=O) [C@@] ([H]) (NC2=O) [C@@H] (C) CC |c:4|
Molecular Formula
C30H48N6O6S
Molecular Weight
620.81
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Keenamide A

(1S,4S,10S,15S,18S)-1-amino-4-[(2S)-butan-2-yl]-15-(2-methylbut-3-en-2-yloxymethyl)-18-(2-methylpropyl)-20-thia-3,6,11,14,17,22-hexazatricyclo[17.2.1.06,10]docos-19(22)-ene-2,5,13,16-tetrone has been reported in Didemnum molle and Pleurobranchus forskalii with data available.

CAS Number177742-52-8
PubChem CID44584236
IUPAC Name(1S,4S,10S,15S,18S)-1-amino-4-[(2S)-butan-2-yl]-15-(2-methylbut-3-en-2-yloxymethyl)-18-(2-methylpropyl)-20-thia-3,6,11,14,17,22-hexazatricyclo[17.2.1.06,10]docos-19(22)-ene-2,5,13,16-tetrone
Molecular FormulaC29H49N7O5S
Molecular Weight607.8
XLogP1.7
Topological Polar Surface Area193
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count42
Formal Charge0
Complexity1070
SMILES
CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2NCC(=O)N[C@H](C(=O)N[C@H](C3=N[C@](CS3)(C(=O)N1)N)CC(C)C)COC(C)(C)C=C
InChI
InChI=1S/C29H49N7O5S/c1-8-18(5)23-26(39)36-12-10-11-21(36)31-14-22(37)32-20(15-41-28(6,7)9-2)24(38)33-19(13-17(3)4)25-35-29(30,16-42-25)27(40)34-23/h9,17-21,23,31H,2,8,10-16,30H2,1,3-7H3,(H,32,37)(H,33,38)(H,34,40)/t18-,19-,20-,21-,23-,29+/m0/s1
InChIKey
AVOKSPHMIIWBHF-FBGODTLNSA-N
Chemical Structure
2D Structure
2D structure of Keenamide A
CAS: 177742-52-8
CID: 44584236
Formula: C29H49N7O5S
MW: 607.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight607.8
XLogP31.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass607.35158886
Monoisotopic Mass607.35158886
Topological Polar Surface Area193 Ų
Heavy Atom Count42
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T32372-01Keenamide A

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