879085-55-9 | 2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-methanesulfonylbenzamide

Packsize	Purity	Availability	Price	Discounted Price
1mg	97%	in stock	$12.00	$8.00
10mg	97%	in stock	$28.00	$19.00
100mg	97%	in stock	$54.00	$38.00
250mg	97%	in stock	$80.00	$56.00
1g	97%	in stock	$185.00	$130.00
5g	97%	in stock	$770.00	$539.00
10g	97%	in stock	$1,536.00	$1,075.00
25g	97%	in stock	$3,060.00	$2,142.00

Description

• Catalog Number: AB80370
• Chemical Name: 2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-methanesulfonylbenzamide
• CAS Number: 879085-55-9
• Molecular Formula: C19H14Cl2N2O3S
• Molecular Weight: 421.2971
• MDL Number: MFCD12407408
• SMILES: O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl

Computed Properties

• Complexity: 625
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 27
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 4
• XLogP3: 3.8

Literature

• Gli2 gene-environment interactions contribute to the etiological complexity of holoprosencephaly: evidence from a mouse model.

  Disease models & mechanisms 20161101

• Merkel Cell Carcinoma with a Suppressor of Fused (SUFU) Mutation: Case Report and Potential Therapeutic Implications.

  Dermatology and therapy 20150601

• The Hedgehog pathway: role in cell differentiation, polarity and proliferation.

  Archives of toxicology 20150201

• Epigenetic targeting of Hedgehog pathway transcriptional output through BET bromodomain inhibition.

  Nature medicine 20140701

• Targeting of the Hedgehog signal transduction pathway suppresses survival of malignant pleural mesothelioma cells in vitro.

  The Journal of thoracic and cardiovascular surgery 20140101

• Identification of potent Yes1 kinase inhibitors using a library screening approach.

  Bioorganic & medicinal chemistry letters 20130801

• The dawn of hedgehog inhibitors: Vismodegib.

  Journal of pharmacology & pharmacotherapeutics 20130101

• Identification of a novel Smoothened antagonist that potently suppresses Hedgehog signaling.

  Bioorganic & medicinal chemistry 20121115

• Effects of the hedgehog inhibitor GDC-0449, alone or in combination with dasatinib, on BCR-ABL-positive leukemia cells.

  Stem cells and development 20121101

• Hedgehog signaling is a novel therapeutic target in tamoxifen-resistant breast cancer aberrantly activated by PI3K/AKT pathway.

  Cancer research 20121001

• Vismodegib and the hedgehog pathway: a new treatment for basal cell carcinoma.

  Clinical therapeutics 20121001

• In vitro and in vivo characterization of a novel Hedgehog signaling antagonist in human glioblastoma cell lines.

  International journal of cancer 20120715

• Effects of the Hedgehog pathway inhibitor GDC-0449 on lung cancer cell lines are mediated by side populations.

  Clinical and experimental medicine 20120301

• Acylthiourea, acylurea, and acylguanidine derivatives with potent hedgehog inhibiting activity.

  Journal of medicinal chemistry 20120223

• Discovery of PF-04449913, a Potent and Orally Bioavailable Inhibitor of Smoothened.

  ACS medicinal chemistry letters 20120209

• The hedgehog pathway inhibitor GDC-0449 alters intracellular Ca2+ homeostasis and inhibits cell growth in cisplatin-resistant lung cancer cells.

  Anticancer research 20120101

• Ivacaftor, vismodegib, and ingenol mebutate.

  Journal of the American Pharmacists Association : JAPhA 20120101

• Emerging treatments and signaling pathway inhibitors.

  Seminars in cutaneous medicine and surgery 20111201

• Up-regulation of Hedgehog pathway is associated with cellular permissiveness for hepatitis C virus replication.

  Hepatology (Baltimore, Md.) 20111101

• A single dose mass balance study of the Hedgehog pathway inhibitor vismodegib (GDC-0449) in humans using accelerator mass spectrometry.

  Drug metabolism and disposition: the biological fate of chemicals 20110801

• Hedgehog fights back: mechanisms of acquired resistance against Smoothened antagonists.

  Cancer research 20110801

• Absorption, distribution, metabolism, and excretion of [¹⁴C]GDC-0449 (vismodegib), an orally active hedgehog pathway inhibitor, in rats and dogs: a unique metabolic pathway via pyridine ring opening.

  Drug metabolism and disposition: the biological fate of chemicals 20110601

• AACR highlights: promise for treating pancreatic cancer.

  Journal of the National Cancer Institute 20110518

• Hedgehog signaling and therapeutics in pancreatic cancer.

  Carcinogenesis 20110401

• New agents for prevention of ultraviolet-induced nonmelanoma skin cancer.

  Seminars in cutaneous medicine and surgery 20110301

• The role of targeted molecular inhibitors in the management of advanced nonmelanoma skin cancer.

  Seminars in cutaneous medicine and surgery 20110301

• Small molecule inhibition of GDC-0449 refractory smoothened mutants and downstream mechanisms of drug resistance.

  Cancer research 20110115

• Up-regulation of sonic hedgehog contributes to TGF-β1-induced epithelial to mesenchymal transition in NSCLC cells.

  PloS one 20110101

• Hedgehog signaling antagonist promotes regression of both liver fibrosis and hepatocellular carcinoma in a murine model of primary liver cancer.

  PloS one 20110101

• Hedgehog signaling antagonist GDC-0449 (Vismodegib) inhibits pancreatic cancer stem cell characteristics: molecular mechanisms.

  PloS one 20110101

• Second generation 2-pyridyl biphenyl amide inhibitors of the hedgehog pathway.

  Bioorganic & medicinal chemistry letters 20101115

• Modulators of the hedgehog signaling pathway.

  Bioorganic & medicinal chemistry 20100915

• Interplay of dissolution, solubility, and nonsink permeation determines the oral absorption of the Hedgehog pathway inhibitor GDC-0449 in dogs: an investigation using preclinical studies and physiologically based pharmacokinetic modeling.

  Drug metabolism and disposition: the biological fate of chemicals 20100701

• Small-molecule modulators of the Sonic Hedgehog signaling pathway.

  Molecular bioSystems 20100101

• Preclinical assessment of the absorption, distribution, metabolism and excretion of GDC-0449 (2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide), an orally bioavailable systemic Hedgehog signalling pathway inhibitor.

  Xenobiotica; the fate of foreign compounds in biological systems 20091101

• Smoothened mutation confers resistance to a Hedgehog pathway inhibitor in medulloblastoma.

  Science (New York, N.Y.) 20091023

• GDC-0449-a potent inhibitor of the hedgehog pathway.

  Bioorganic & medicinal chemistry letters 20091001

• Inhibition of the hedgehog pathway in advanced basal-cell carcinoma.

  The New England journal of medicine 20090917

• Evidence for allosteric interactions of antagonist binding to the smoothened receptor.

  The Journal of pharmacology and experimental therapeutics 20090601

• Hedgehog pathway inhibitor HhAntag691 is a potent inhibitor of ABCG2/BCRP and ABCB1/Pgp.

  Neoplasia (New York, N.Y.) 20090101