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(E)-3-[3-chloro-4-[3-(3,5-dimethyl-1-adamantyl)-4-hydroxyphenyl]phenyl]prop-2-enoic acid , CAS No.E608638, SHP

PubChem CID: 23577110

Item Number

E608638

Grouped product items
SKU	Size	Availability	Price	Qty
E608638-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,400.90
E608638-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

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SHP

Specifications & Purity

Moligand™

Grade

Moligand™

Mechanism of action

SHP

Associated Targets(Human)

NR0B2 Tchem Nuclear receptor subfamily 0 group B member 2 (1 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PTPN11 Tchem Protein-tyrosine phosphatase 2C (2297 Activities)

Discover Target: PTPN11

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DU-145 (51482 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KG-1 (867 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MDA-MB-231 (73002 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Names and Identifiers

IUPAC Name	(E)-3-[3-chloro-4-[3-(3,5-dimethyl-1-adamantyl)-4-hydroxyphenyl]phenyl]prop-2-enoic acid
INCHI	InChI=1S/C27H29ClO3/c1-25-11-18-12-26(2,14-25)16-27(13-18,15-25)21-10-19(5-7-23(21)29)20-6-3-17(9-22(20)28)4-8-24(30)31/h3-10,18,29H,11-16H2,1-2H3,(H,30,31)/b8-4+
InChi Key	DIXYWCRPNNUEHU-XBXARRHUSA-N
Canonical SMILES	OC(=O)/C=C/c1ccc(c(c1)Cl)c1ccc(c(c1)C12CC3CC(C2)(CC(C1)(C3)C)C)O
Isomeric SMILES	CC12CC3CC(C1)(CC(C3)(C2)C4=C(C=CC(=C4)C5=C(C=C(C=C5)/C=C/C(=O)O)Cl)O)C
PubChem CID	23577110

PubChem CID

23577110

ChEMBL Ligand

CHEMBL461415

References

1. Dawson MI, Xia Z, Jiang T, Ye M, Fontana JA, Farhana L, Patel B, Xue LP, Bhuiyan M, Pellicciari R et al.. (2008) Adamantyl-substituted retinoid-derived molecules that interact with the orphan nuclear receptor small heterodimer partner: effects of replacing the 1-adamantyl or hydroxyl group on inhibition of cancer cell growth, induction of cancer cell apoptosis, and inhibition of SRC homology 2 domain-containing protein tyrosine phosphatase-2 activity.. J Med Chem, 51 (18): (5650-62). [PMID:18759424] [10.1021/op500134e]

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(E)-3-[3-chloro-4-[3-(3,5-dimethyl-1-adamantyl)-4-hydroxyphenyl]phenyl]prop-2-enoic acid , CAS No.E608638, SHP

Basic Description

Associated Targets(Human)

Mechanisms of Action

Names and Identifiers

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Certificates

Certificate of Analysis(COA)

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