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Siomycin A

CAT: 0013-GTR19227602Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19227602Size:500 µg
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Description
Siomycin A is a thiopeptide antibiotic and a selective FOXM1 inhibitor with demonstrated anti-tumor activity. It induces apoptosis and has been utilized in both in vitro and in vivo cancer research models to study oncogenic transcription factor function and therapeutic potential.
CAS Number
12656-09-6
Field of Research
Cell Biology, Infectious Disease & Virology
Smiles
[H][C@]12CSC (=N1) C (NC (=O) C (NC (=O) c1csc (n1) [C@@]13CCC (=N[C@]1 ([H]) c1csc (n1) [C@@] ([H]) (NC (=O) c1csc (n1) [C@@] ([H]) (NC2=O) [C@] (C) (O) [C@@H] (C) O) [C@@H] (C) OC (=O) c1cc ([C@H] (C) O) c2C=C[C@@H] (N[C@@H] (C (C) C) C (=O) NC (=C) C (=O) NC (=C) C (=O) N[C@@H] (C) C (=O) N3) [C@@] ([H]) (O) c2n1) c1nc (cs1) C (=O) NC (=C) C (=O) NC (=C) C (N) =O) [C@@H] (C) O) =CC |c:4,24,70|
Molecular Formula
C71H81N19O18S5
Molecular Weight
1648.84
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Siomycin A

siomycin a has been reported in Planomonospora parontospora and Planomonospora sphaerica with data available.

CAS Number12656-09-6
PubChem CID121225689
IUPAC NameN-[3-[(3-amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl]-2-[(1R,8S,11Z,15S,18S,25S,26R,35R,37S,46S,53S,59S)-18-[(2S,3R)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-[(1R)-1-hydroxyethyl]-31-[(1S)-1-hydroxyethyl]-26,46-dimethyl-40,43-dimethylidene-6,9,16,23,28,38,41,44,47-nonaoxo-37-propan-2-yl-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazole-4-carboxamide
Molecular FormulaC71H81N19O18S5
Molecular Weight1648.9
XLogP0.5
Topological Polar Surface Area701
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count31
Rotatable Bond Count11
Heavy Atom Count113
Formal Charge0
Complexity3970
SMILES
C/C=C\1/C2=N[C@H](CS2)C(=O)N[C@H](C3=NC(=CS3)C(=O)N[C@H]4[C@H](OC(=O)C5=NC6=C(C=C[C@H]([C@@H]6O)N[C@H](C(=O)NC(=C)C(=O)NC(=C)C(=O)N[C@H](C(=O)N[C@@]7(CCC(=N[C@@H]7C8=CSC4=N8)C9=NC(=CS9)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C2=NC(=CS2)C(=O)N[C@H](C(=O)N1)[C@@H](C)O)C)C(C)C)C(=C5)[C@H](C)O)C)[C@@](C)([C@@H](C)O)O
InChI
InChI=1S/C71H81N19O18S5/c1-14-37-64-83-44(22-109-64)61(103)89-52(70(13,107)34(12)93)67-85-43(23-112-67)59(101)88-48-33(11)108-68(106)40-19-36(31(9)91)35-15-16-38(50(94)49(35)79-40)78-46(25(2)3)62(104)77-29(7)56(98)74-27(5)55(97)75-30(8)57(99)90-71(69-86-45(24-113-69)60(102)87-47(32(10)92)63(105)81-37)18-17-39(80-51(71)41-20-111-66(48)82-41)65-84-42(21-110-65)58(100)76-28(6)54(96)73-26(4)53(72)95/h14-16,19-21,23-25,30-34,38,44,46-48,50-52,78,91-94,107H,4-7,17-18,22H2,1-3,8-13H3,(H2,72,95)(H,73,96)(H,74,98)(H,75,97)(H,76,100)(H,77,104)(H,81,105)(H,87,102)(H,88,101)(H,89,103)(H,90,99)/b37-14-/t30-,31-,32+,33+,34+,38+,44+,46-,47-,48-,50-,51+,52+,70+,71+/m0/s1
InChIKey
AKFVOKPQHFBYCA-KJULAZMPSA-N
Chemical Structure
2D Structure
2D structure of Siomycin A
CAS: 12656-09-6
CID: 121225689
Formula: C71H81N19O18S5
MW: 1648.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1648.9
XLogP30.5
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count31
Rotatable Bond Count11
Exact Mass1647.4610527
Monoisotopic Mass1647.4610527
Topological Polar Surface Area701 Ų
Heavy Atom Count113
Formal Charge0
Complexity3970
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-P1687-01Siomycin A
S1013-86WSiomycin A (Mutabilycin, Sporangiomycin, Antibiotic 6741-21, Mutabillicin)

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