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AHPN

AHPN structure

CAS No:
125316-60-1
Formula:
C27H26O3
Chemical Name:
AHPN
Synonyms:
2-Naphthalenecarboxylic acid,6-(4-hydroxy-3-tricyclo[3.3.1.13,7]dec-1-ylphenyl)-;6-(4-Hydroxy-3-tricyclo[3.3.1.13,7]dec-1-ylphenyl)-2-naphthalenecarboxylic acid;CD 437;AHPN;6-[3-(1-Adamantyl)-4-hydroxyphenyl]-2-naphthalenecarboxylic acid;CD 437/AHPN;C 5865
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

Yellow SolidChEBI: A naphthoic acid that is 6-phenylnaphthylene-2-carboxyic acid in which the phenyl substituent has been substituted at positions 3 and 4 by adamant-1-yl and hydroxy groups, respectively. It acts as a selective agonist of retinoic acid receptor (RAR)g mma and induces cell cycle arrest and apoptosis in various cancer cells.

CD437 is a naphthoic acid that is 6-phenylnaphthylene-2-carboxyic acid in which the phenyl substituent has been substituted at positions 3 and 4 by adamant-1-yl and hydroxy groups, respectively. It acts as a selective agonist of retinoic acid receptor (RAR)gamma and induces cell cycle arrest and apoptosis in various cancer cells. It has a role as an apoptosis inducer and a retinoic acid receptor gamma agonist. It is a member of adamantanes, a monocarboxylic acid, a naphthoic acid and a member of phenols.

AHPN Basic Attributes

Molecular Weight：

398.499

Exact Mass：

398.49

DSSTox ID：

DTXSID80154737

Characteristics

PSA：

57.5

XLogP3：

7.4

Appearance：

yellow solid

Density：

1.29

Melting Point：

271.6-276 °C

Boiling Point：

595.0±50.0 °C(Predicted)

Flash Point：

327.7±26.6 °C

Refractive Index：

1.689

Water Solubility：

DMSO: 26 mg/mL

Storage Conditions：

−20°C

Vapor Pressure：

5.27E-15mmHg at 25°C

Safety Information

Packing level：

Ⅲ

Transport codes：

2811

wgk germany：

hazard class code：

6.1

safety instructions：

22-24/25

RTECS Number：

QJ1975900

Precautionary statement(s)：

P201, P202, P281, P308+P313, P405, P501

Hazard Statements：

H361

GHS Classification：

|Warning|H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]|P201, P202, P281, P308+P313, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH：

Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

MeSH Entry Terms：

6-(3-(1-adamantyl)-4-hydroxyphenyl)-2-naphthalenecarboxylic acid

AHPN Use and Manufacturing

An intermediate in the preparation of Adapalene derivatives.

Computed Properties

Molecular Weight:398.5
XLogP3:7.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:398.18819469
Monoisotopic Mass:398.18819469
Topological Polar Surface Area:57.5
Heavy Atom Count:30
Complexity:630
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes