Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-5-methyl-, (3aS,4R,7R,8aS,9S,10aR,12aS,12bR,13S,13aS)-7,12a-bis(acetyloxy)-13-(benzoyloxy)-3a,4,7,8,8a,9,10,10a,12,12a,12b,13-dodecahyd ro-9-hydroxy-5,8a,14,14-tetramethyl-2,8-dioxo-6,13a-methano-13aH-oxeto[2'',3'':5',6']benzo[1',2':4,5]cyclodeca[1,2-d]-1,3-dioxol-4-yl ester, (2R,3S)-

Product Name: Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-5-methyl-, (3aS,4R,7R,8aS,9S,10aR,12aS,12bR,13S,13aS)-7,12a-bis(acetyloxy)-13-(benzoyloxy)-3a,4,7,8,8a,9,10,10a,12,12a,12b,13-dodecahyd ro-9-hydroxy-5,8a,14,14-tetramethyl-2,8-dioxo-6,13a-methano-13aH-oxeto[2'',3'':5',6']benzo[1',2':4,5]cyclodeca[1,2-d]-1,3-dioxol-4-yl ester, (2R,3S)-
CAS No.: 186348-23-2
Chemical Name: Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-5-methyl-, (3aS,4R,7R,8aS,9S,10aR,12aS,12bR,13S,13aS)-7,12a-bis(acetyloxy)-13-(benzoyloxy)-3a,4,7,8,8a,9,10,10a,12,12a,12b,13-dodecahyd ro-9-hydroxy-5,8a,14,14-tetramethyl-2,8-dioxo-6,13a-methano-13aH-oxeto[2'',3'':5',6']benzo[1',2':4,5]cyclodeca[1,2-d]-1,3-dioxol-4-yl ester, (2R,3S)-
Synonyms: IDN 5109;Ortataxel;Radalbuvir;BAY 59-8862;SB-T 101131;5β,20-epoxy-1,2α,4,7β,13α,14β-heptahydroxytax-11-en-9-one 1,14-carbonate-4,10-diacetate-2-benzoate-13-[(2R,3S)-3-(N-tert-butoxycarbonyl)-amino-2-hydroxy-5-methylhexanoate];Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-5-methyl-, (3aS,4R,7R,8aS,9S,10aR,12aS,12bR,13S,13aS)-7,12a-bis(acetyloxy)-13-(benzoyloxy)-3a,4,7,8,8a,9,10,10a,12,12a,12b,13-dodecahydro-9-hydroxy-5,8a,14,14-tetramethyl-2,8-dioxo-6,13a-methano-13aH-oxeto[2'',3'':5',6']benzo[1',2':4,5...;Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-5-methyl-, (3aS,4R,7R,8aS,9S,10aR,12aS,12bR,13S,13aS)-7,12a-bis(acetyloxy)-13-(benzoyloxy)-3a,4,7,8,8a,9,10,10a,12,12a,12b,13-dodecahyd ro-9-hydroxy-5,8a,14,14-tetramethyl-2,8-dioxo-6,13a-methano-13aH-oxeto[2'',3'':5',6']benzo[1',2':4,5]cyclodeca[1,2-d]-1,3-dioxol-4-yl ester, (2R,3S)-
CBNumber: CB51216038
Molecular Formula: C44H57NO17
Formula Weight: 871.92
MOL File: 186348-23-2.mol

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Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-5-methyl-, (3aS,4R,7R,8aS,9S,10aR,12aS,12bR,13S,13aS)-7,12a-bis(acetyloxy)-13-(benzoyloxy)-3a,4,7,8,8a,9,10,10a,12,12a,12b,13-dodecahyd ro-9-hydroxy-5,8a,14,14-tetramethyl-2,8-dioxo-6,13a-methano-13aH-oxeto[2'',3'':5',6']benzo[1',2':4,5]cyclodeca[1,2-d]-1,3-dioxol-4-yl ester, (2R,3S)- Property

Boiling point:: 929.7±65.0 °C(Predicted)
Density: 1.36±0.1 g/cm3(Predicted)
solubility: Soluble in DMSO
pka: 11.75±0.46(Predicted)

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H301Toxic if swalloed

H331Toxic if inhaled

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P271Use only outdoors or in a well-ventilated area.

P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P311Call a POISON CENTER or doctor/physician.

P321Specific treatment (see … on this label).

P330Rinse mouth.

P403+P233Store in a well-ventilated place. Keep container tightly closed.

P405Store locked up.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

American Custom Chemicals Corporation

Product number: API0005267
Product name: ORTATAXEL
Purity: 95.00%
Packaging: 5MG
Price: $503.49
Updated: 2021/12/16

ApexBio Technology

Product number: B6081
Product name: BAY-598
Packaging: 50mg
Price: $1890
Updated: 2021/12/16

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Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-5-methyl-, (3aS,4R,7R,8aS,9S,10aR,12aS,12bR,13S,13aS)-7,12a-bis(acetyloxy)-13-(benzoyloxy)-3a,4,7,8,8a,9,10,10a,12,12a,12b,13-dodecahyd ro-9-hydroxy-5,8a,14,14-tetramethyl-2,8-dioxo-6,13a-methano-13aH-oxeto[2'',3'':5',6']benzo[1',2':4,5]cyclodeca[1,2-d]-1,3-dioxol-4-yl ester, (2R,3S)- Chemical Properties,Usage,Production

Biological Activity

bay-598 is a aminopyrazoline-based in-vivo probe for smyd2.smyd2 is a catalytic set domain containing protein methyltransferase to monomethylate lysine residues on histone and nonhistone proteins. the overexpression of smyd2 has been found in cancer cell lines and also in various cancer patients.

in vitro

previous data suggest that bay-598 is a peptide-competitive, sam-uncompetitive inhibitor of smyd2 methyltransferase activity, binding to the smyd2 sam substrate complex. bay-598 was tested on a panel of 32 additional methyltransferases, and the results showed that bay-598 displayed >100-fold selectivity for smyd2, with very weak activity for the closest related methyltransferase smyd3. though bay-598 proved to be active for both smyd2 inhibition and par1 antagonism, there was still a greater than 50-fold selectivity for smyd2 relative to par1 [1].

in vivo

in animal study, mice bearing subcutaneous tumor xenografts were orally treated with 10, 30, 70, or 100 mg/kg bay-598 once daily for 3 days. results showed that bay-598 could significantly reduce the methylation with doses starting from 30 mg/kg, with most significant effects in the 100 mg/kg group. treatment with 10 mg/kg bay-598 showed no significant effect on the methylation level, although the exposure at 10 mg/kg was close to the cellular ic50 for about 9 h, indicating an even higher exposure as the ic50 to achieve in-vivo effects [1].

IC 50

27 nm

References

[1] eggert e,hillig rc,koehr s,et al. discovery and characterization of a highly potent and selective aminopyrazoline-based in vivo probe (bay-598) for the protein lysine methyltransferase smyd2. j med chem.2016 may 26;59(10):4578-600.

Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-5-methyl-, (3aS,4R,7R,8aS,9S,10aR,12aS,12bR,13S,13aS)-7,12a-bis(acetyloxy)-13-(benzoyloxy)-3a,4,7,8,8a,9,10,10a,12,12a,12b,13-dodecahyd ro-9-hydroxy-5,8a,14,14-tetramethyl-2,8-dioxo-6,13a-methano-13aH-oxeto[2'',3'':5',6']benzo[1',2':4,5]cyclodeca[1,2-d]-1,3-dioxol-4-yl ester, (2R,3S)- Preparation Products And Raw materials

Raw materials

Preparation Products

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Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-5-methyl-, (3aS,4R,7R,8aS,9S,10aR,12aS,12bR,13S,13aS)-7,12a-bis(acetyloxy)-13-(benzoyloxy)-3a,4,7,8,8a,9,10,10a,12,12a,12b,13-dodecahyd ro-9-hydroxy-5,8a,14,14-tetramethyl-2,8-dioxo-6,13a-methano-13aH-oxeto[2'',3'':5',6']benzo[1',2':4,5]cyclodeca[1,2-d]-1,3-dioxol-4-yl ester, (2R,3S)- Suppliers

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186348-23-2, Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-5-methyl-, (3aS,4R,7R,8aS,9S,10aR,12aS,12bR,13S,13aS)-7,12a-bis(acetyloxy)-13-(benzoyloxy)-3a,4,7,8,8a,9,10,10a,12,12a,12b,13-dodecahyd ro-9-hydroxy-5,8a,14,14-tetramethyl-2,8-dioxo-6,13a-methano-13aH-oxeto[2'',3'':5',6']benzo[1',2':4,5]cyclodeca[1,2-d]-1,3-dioxol-4-yl ester, (2R,3S)-Related Search:

Paclitaxel BOC-L-BETA-HOMOLEUCINE (R)-(+)-Propylene carbonate 4-HYDROXYMETHYL-1,3-DIOXOLAN-2-ONE (2R,3S)-3-AMINO-2-HYDROXYHEXANOIC ACID (S)-(-)-Propylene Carbonate BOC-L-BETA-HOMOALANINE ALLYL ESTER 1-Benzylglycerol-2,3-carbonate (methoxymethoxy)cyclododecane CHEMBRDG-BB 4012459 3-cis-Hexenyl methyl carbonate Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-5-methyl-, (3aS,4R,7R,8aS,9S,10aR,12aS,12bR,13S,13aS)-7,12a-bis(acetyloxy)-13-(benzoyloxy)-3a,4,7,8,8a,9,10,10a,12,12a,12b,13-dodecahyd ro-9-hydroxy-5,8a,14,14-tetramethyl-2,8-dioxo-6,13a-methano-13aH-oxeto[2'',3'':5',6']benzo[1',2':4,5]cyclodeca[1,2-d]-1,3-dioxol-4-yl ester, (2R,3S)- 3-[(T-BUTOXYCARBONYL)AMINO]-5-METHYLHEXANOICACID N-BOC-(2R,3S)-2-HYDROXY-3-AMINO-5-METHYLHEXANOIC ACID (S)-(-)-4-(METHOXYMETHYL)-1,3-DIOXOLAN-2-ONE BOISAMBRENE FORTE

Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-5-methyl-, (3aS,4R,7R,8aS,9S,10aR,12aS,12bR,13S,13aS)-7,12a-bis(acetyloxy)-13-(benzoyloxy)-3a,4,7,8,8a,9,10,10a,12,12a,12b,13-dodecahyd ro-9-hydroxy-5,8a,14,14-tetramethyl-2,8-dioxo-6,13a-methano-13aH-oxeto[2'',3'':5',6']benzo[1',2':4,5]cyclodeca[1,2-d]-1,3-dioxol-4-yl ester, (2R,3S)-

Ortataxel

BAY 59-8862

IDN 5109

SB-T 101131

Radalbuvir

5β,20-epoxy-1,2α,4,7β,13α,14β-heptahydroxytax-11-en-9-one 1,14-carbonate-4,10-diacetate-2-benzoate-13-[(2R,3S)-3-(N-tert-butoxycarbonyl)-amino-2-hydroxy-5-methylhexanoate]

Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-5-methyl-, (3aS,4R,7R,8aS,9S,10aR,12aS,12bR,13S,13aS)-7,12a-bis(acetyloxy)-13-(benzoyloxy)-3a,4,7,8,8a,9,10,10a,12,12a,12b,13-dodecahydro-9-hydroxy-5,8a,14,14-tetramethyl-2,8-dioxo-6,13a-methano-13aH-oxeto[2'',3'':5',6']benzo[1',2':4,5...

186348-23-2

C44H57NO17