Products for Research Use Only

AL082D06

CAT: 0013-GTR19162473-06Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162473-06Size:25 mg
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Description
AL 082D06 (D-06) is the first selective, nonsteroidal glucocorticoid receptor (GR) antagonist with Ki of 210 nM, exhibits excellent selectivity against AR, PR, MR and ER (Ki > 10 uM) .
CAS Number
256925-03-8
Product Name Alternative
AL082D06 | AL-082D06 | AL 082D06 | D-06
Purity
>98% (HPLC)
Solubility
Soluble in DMSO
Smiles
CN (C) C1=CC=C (C (C2=CC=C (N (C) C) C=C2) C3=CC ([N+] ([O-]) =O) =CC=C3Cl) C=C1
Molecular Formula
C23H24ClN3O2
Molecular Weight
409.91
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
4,4'- ((2-chloro-5-nitrophenyl) methylene) bis (N, N-dimethylaniline)

Chemical Information

4,4'-((2-chloro-5-nitrophenyl)methylene)bis(N,N-dimethylaniline)
CAS Number256925-03-8
PubChem CID9822799
IUPAC Name4-[(2-chloro-5-nitrophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
Molecular FormulaC23H24ClN3O2
Molecular Weight409.9
XLogP6
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity495
SMILES
CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=C(C=CC(=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C23H24ClN3O2/c1-25(2)18-9-5-16(6-10-18)23(17-7-11-19(12-8-17)26(3)4)21-15-20(27(28)29)13-14-22(21)24/h5-15,23H,1-4H3
InChIKey
IPICUXHYPAMJNC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4'-((2-chloro-5-nitrophenyl)methylene)bis(N,N-dimethylaniline)
CAS: 256925-03-8
CID: 9822799
Formula: C23H24ClN3O2
MW: 409.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight409.9
XLogP36
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass409.1557047
Monoisotopic Mass409.1557047
Topological Polar Surface Area52.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity495
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes