HPI-1 - ≥98% , CAS No.599150-20-6

CAS: 599150-20-6 Cat. No.: H275236 Molecular Weight: 463.52 EC Number: 684-721-1

GRADE & PURITY ≥98%

Synonyms

2-Methoxyethyl1,4,5,6,7,8-hexahydro-4-(3-hydroxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-3-quinolinecarboxylate | Hedgehog Pathway Inhibitor 1 | GLI antagonist-1

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

2-Methoxyethyl1, 4, 5, 6, 7, 8-hexahydro-4-(3-hydroxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-3-quinolinecarboxylate | Hedgehog Pathway Inhibitor 1 | GLI antagonist-1

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Potent hedgehog signaling inhibitor (IC 50 values are 1.5 (Shh), 1.5 (SAG), 4 (Gli2) and 6 μM (Gli1)). Antitumor agent. Active in vivo and in vitro.

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504762251
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762251
• Canonical Smiles: CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC(=CC=C4)O)C(=O)OCCOC
• IUPAC Name: 2-methoxyethyl 4-(3-hydroxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
• InChIKey: ZXSWZQSYZYMZKS-UHFFFAOYSA-N
• INCHI: 1S/C27H29NO6/c1-16-24(27(31)34-12-11-32-2)25(17-7-6-8-19(29)13-17)26-21(28-16)14-18(15-22(26)30)20-9-4-5-10-23(20)33-3/h4-10,13,18,25,28-29H,11-12,14-15H2,1-3H3
• Isomeric SMILES: CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC(=CC=C4)O)C(=O)OCCOC
• Molecular Weight: 463.52
• Reaxy-Rn: 20979234
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20979234&ln=

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO to 100 mM and in ethanol to 100 mM
• Molecular Weight: 463.500 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 463.199 Da
• Monoisotopic Mass: 463.199 Da
• Topological Polar Surface Area: 94.100 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 833.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1