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Herbimycin A

CAT: 0013-GTR19153464-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19153464-02Size:1 mg
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Description
Herbimycin A (also known as Herbimycin; CAS number: 70563-58-5) is a compound with a molecular weight of 574.66 Da and a purity of ≥98%.
CAS Number
70563-58-5
Product Name Alternative
Herbimycin
Field of Research
Cardiovascular Research, Cell Biology
Purity
>98%
Bioactivity
HSP90 inhibitor; Src inhibitor
Form
Powder
Solubility
Soluble in DMSO (up to 6 mg/ml) .
Smiles
CC1CC (C (C (C=C (C (C (C=CC=C (C (=O) NC2=CC (=O) C=C (C1OC) C2=O) C) OC) OC (=O) N) C) C) OC) OC
Molecular Formula
C30H42N2O9
Molecular Weight
574.68
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
(15R) -17-Demethoxy-15 methoxy-11-O-methyl-geldanamycin

Chemical Information

Herbimycin A

Herbimycin is a 19-membered macrocyle incorporating a benzoquinone ring and a lactam functionality. It is an ansamycin antibiotic that induces apoptosis and displays antitumour effects. It has a role as a herbicide, an antimicrobial agent, a tyrosine kinase inhibitor, a Hsp90 inhibitor and an apoptosis inducer. It is a member of 1,4-benzoquinones, a lactam and a macrocycle.

CAS Number70563-58-5
PubChem CID5311102
IUPAC Name[(4E,6Z,8S,9S,10E,12S,13R,14S,16S,17R)-8,13,14,17-tetramethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate
Molecular FormulaC30H42N2O9
Molecular Weight574.7
XLogP1.8
Topological Polar Surface Area152
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count41
Formal Charge0
Complexity1150
SMILES
C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C=C([C@@H]1OC)C2=O)/C)OC)OC(=O)N)\C)C)OC)OC
InChI
InChI=1S/C30H42N2O9/c1-16-10-9-11-23(37-5)28(41-30(31)36)18(3)12-17(2)27(40-8)24(38-6)13-19(4)26(39-7)21-14-20(33)15-22(25(21)34)32-29(16)35/h9-12,14-15,17,19,23-24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b11-9-,16-10+,18-12+/t17-,19-,23-,24-,26+,27+,28-/m0/s1
InChIKey
MCAHMSDENAOJFZ-BVXDHVRPSA-N
Chemical Structure
2D Structure
2D structure of Herbimycin A
CAS: 70563-58-5
CID: 5311102
Formula: C30H42N2O9
MW: 574.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight574.7
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass574.28903092
Monoisotopic Mass574.28903092
Topological Polar Surface Area152 Ų
Heavy Atom Count41
Formal Charge0
Complexity1150
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B6808-2.5Herbimycin A
FH75163Herbimycin
MBS651260-01Herbimycin A (Herbimycin, Antibiotic TAN 420F)
H030-2.5MGHerbimycin C
AR03028PU-NHerbimycin A Protein
HY-N15076Herbimycin B

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