Ingenol 3,20-dibenzoate - ≥97% , CAS No.59086-90-7

CAS: 59086-90-7 Cat. No.: I338288 Molecular Weight: 556.65 EC Number: 637-387-6

GRADE & PURITY ≥97%

Synonyms

Ingenol dibenzoate | DTXSID20984454 | [(4S,5R,6R,9S,10R,12R,14R)-4-Benzoyloxy-5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl benzoate | NSC 262646 | [6-(Benzoyloxy)-5,5a-dihydroxy-1,1,7,9-tetramethyl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Ingenol 3,20-dibenzoate activates protein kinase C (PKC). Ingenol 3,20-dibenzoate induces apoptosis. Ingenol 3,20-dibenzoate is an anticancer agent. Ingenol 3,20-dibenzoate shows potent antileukemic activity in the P388 mouse assay. Ingenol 3,20-dibenzoate displays unusually high mouse ear inflammatory activity, even though the 20-hydroxy group is blocked with a benzoate ester.

Specifications

Synonyms

Ingenol dibenzoate | DTXSID20984454 | [(4S, 5R, 6R, 9S, 10R, 12R, 14R)-4-Benzoyloxy-5, 6-dihydroxy-3, 11, 11, 14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01, 5.010, 12]pentadeca-2, 7-dienyl]methyl benzoate | NSC 262646 | [6-(Benzoyloxy)-5, 5a-dihydroxy-1, 1, 7, 9-tetramethyl

Specifications & Purity

≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

AGONIST

Purity

≥97%

Product Properties

• Ki Data: Binding to PKCα: Ki= 240 nM

Names and Identifiers

• Canonical Smiles: CC1CC2C(C2(C)C)C3C=C(C(C4(C1(C3=O)C=C(C4OC(=O)C5=CC=CC=C5)C)O)O)COC(=O)C6=CC=CC=C6
• IUPAC Name: [(4S,5R,6R,9S,10R,12R,14R)-4-benzoyloxy-5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl benzoate
• InChIKey: GIMKEHNOTHXONN-QZYSDMGUSA-N
• INCHI: 1S/C34H36O7/c1-19-17-33-20(2)15-25-26(32(25,3)4)24(28(33)36)16-23(18-40-30(37)21-11-7-5-8-12-21)27(35)34(33,39)29(19)41-31(38)22-13-9-6-10-14-22/h5-14,16-17,20,24-27,29,35,39H,15,18H2,1-4H3/t20-,24+,25-,26+,27-,29+,33?,34-/m1/s1
• Isomeric SMILES: C[C@@H]1C[C@@H]2[C@@H](C2(C)C)[C@@H]3C=C([C@H]([C@@]4(C1(C3=O)C=C([C@@H]4OC(=O)C5=CC=CC=C5)C)O)O)COC(=O)C6=CC=CC=C6
• WGK Germany: 3
• Molecular Weight: 556.65
• Reaxy-Rn: 25557798
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25557798&ln=

Chemical and Physical Properties

• Solubility: Soluble in water (partly), DMSO (20 mg/ml), and ethanol (20 mg/ml).
• Refractive Index: n20D1.64 (Predicted)
• Boil Point(°C): ~697.0° C at 760 mmHg (Predicted)
• Melt Point(°C): 20-23° C