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HL23

CAT: 0013-GTR19218694-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19218694-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
HL23 is a histone deacetylase inhibitor for research into hepatocellular carcinoma (HCC) . It upregulates TXNIP expression, inducing potassium deficiency and impeding HCC progression in vitro and in vivo. HL23 also shows synergistic anti-tumor activity when combined with Sorafenib.
CAS Number
1448355-15-4
Field of Research
Epigenetics & Chromatin, Molecular Biology
Smiles
O (C (=O) C1=CC=CC=C1) C2=C3C=4[C@] (CC=5C=C (C (OC) =CC5) OC=6C=CC (C[C@]7 (C8=CC (O3) =C (OC) C=C8CCN7C) [H]) =CC6) (N (C) CCC4C=C2OC) [H]
Molecular Formula
C44H44N2O7
Molecular Weight
712.83
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[(1S,14S)-9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-21-yl] benzoate
CAS Number1448355-15-4
PubChem CID137635265
IUPAC Name[(1S,14S)-9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-21-yl] benzoate
Molecular FormulaC44H44N2O7
Molecular Weight712.8
XLogP7.8
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count53
Formal Charge0
Complexity1190
SMILES
CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC(=O)C8=CC=CC=C8)OC)OC
InChI
InChI=1S/C44H44N2O7/c1-45-19-17-30-24-37(49-4)39-26-33(30)34(45)21-27-11-14-32(15-12-27)51-38-23-28(13-16-36(38)48-3)22-35-41-31(18-20-46(35)2)25-40(50-5)42(43(41)52-39)53-44(47)29-9-7-6-8-10-29/h6-16,23-26,34-35H,17-22H2,1-5H3/t34-,35-/m0/s1
InChIKey
QHIZVNHVLKMCBJ-PXLJZGITSA-N
Chemical Structure
2D Structure
2D structure of [(1S,14S)-9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-21-yl] benzoate
CAS: 1448355-15-4
CID: 137635265
Formula: C44H44N2O7
MW: 712.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight712.8
XLogP37.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass712.31485175
Monoisotopic Mass712.31485175
Topological Polar Surface Area78.9 Ų
Heavy Atom Count53
Formal Charge0
Complexity1190
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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