Name: Name:3-Oxours-12-en-28-oic acid
Brand: AABLOCKS
SKU: AA00ECDP
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00ECDP

Chemical Name: 3-Oxours-12-en-28-oic acid

CAS Number: 6246-46-4

Molecular Formula: C30H46O3

Molecular Weight: 454.6844

MDL Number: MFCD09752413

SMILES: C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CCC(=O)C1(C)C)C(=O)O

Properties

Complexity: 916

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 9

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 33

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 1

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 7

Literature fold

Title: Synthesis of novel ursolic acid heterocyclic derivatives with improved abilities of antiproliferation and induction of p53, p21waf1 and NOXA in pancreatic cancer cells.

Journal: Bioorganic & medicinal chemistry20121001

Title: Ursolic acid derivatives induce cell cycle arrest and apoptosis in NTUB1 cells associated with reactive oxygen species.

Journal: Bioorganic & medicinal chemistry20091015

Title: Synthesis and evaluation of A-seco type triterpenoids for anti-HIV-1protease activity.

Journal: European journal of medicinal chemistry20091001

Title: Evaluation of ursolic acid isolated from Ilex paraguariensis and derivatives on aromatase inhibition.

Journal: European journal of medicinal chemistry20080901

Title: Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies.

Journal: Journal of medicinal chemistry20080626

Title: Gai, L., Cai, N., Wang, L., Xu, X. & Kong, X. Ursolic acid induces apoptosis via Akt/NF-kappaB signaling suppression in T24 human bladder cancer cells. Molecular medicine reports 7, 1673-1677, doi:10.3892/mmr.2013.1364 (2013).

Title: Manu, K. A. & Kuttan, G. Ursolic acid induces apoptosis by activating p53 and caspase-3 gene expressions and suppressing NF-kappaB mediated activation of bcl-2 in B16F-10 melanoma cells. International immunopharmacology 8, 974-981, doi:10.1016/j.intimp.2008.02.013 (2008).

Title: Shanmugam, M. K. et al. Ursolic acid inhibits multiple cell survival pathways leading to suppression of growth of prostate cancer xenograft in nude mice. Journal of molecular medicine 89, 713-727, doi:10.1007/s00109-011-0746-2 (2011).

6246-46-4 | 3-Oxours-12-en-28-oic acid