1401067-08-0

Basic information

• Product Name: R)-2-(2-tert-butoxy-2-oxoethyl)-5,5,5-trifluoropentanoic acid
• Synonyms: R)-2-(2-tert-butoxy-2-oxoethyl)-5,5,5-trifluoropentanoic acid;(2R)-2-(2-tert-Butoxy-2-oxoethyl)-5,5,5-trifluoropentanoic acid
• CAS NO: 1401067-08-0
• Molecular Formula: C₁₁H₁₇F₃O₄
• Molecular Weight: 270.2454896
• Mol File: 1401067-08-0.mol

Chemical Properties

• Boiling Point: 305.5±42.0 °C(Predicted)
• Appearance: /
• Density: 1.200±0.06 g/cm3(Predicted)
• PKA: 4.22±0.23(Predicted)
• CAS DataBase Reference: R)-2-(2-tert-butoxy-2-oxoethyl)-5,5,5-trifluoropentanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: R)-2-(2-tert-butoxy-2-oxoethyl)-5,5,5-trifluoropentanoic acid(1401067-08-0)
• EPA Substance Registry System: R)-2-(2-tert-butoxy-2-oxoethyl)-5,5,5-trifluoropentanoic acid(1401067-08-0)

Safety Data

• Hazardous Substances Data: 1401067-08-0(Hazardous Substances Data)

Upstream product

• 407-62-5 5,5,5-trifluoropentanoic acid 
• 1401065-46-0 (4S)-4-benzyl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one 
• 1401067-07-9 tert-butyl (3R)-3-(((4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl)carbonyl)-6,6,6-trifluorohexanoate 
• 1186202-35-6 5,5,5-trifluoro-n-valeryl chloride 
• 5292-43-3 bromoacetic acid tert-butyl ester 

Downstream Products

• 1401067-09-1 (2R,3S)-1-benzyl 4-tert-butyl 2,3-bis(3,3,3-trifluoropropyl)succinate 
• 1584647-27-7 (2R,3S)-N-((3S)-5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-2,3-bis(3,3,3-trifluoropropyl)succinamide 
• 1584648-36-1 (2S,3R)-tert-butyl 6,6,6-trifluoro-3-(((S)-5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)carbamoyl)-2-(3,3,3-trifluoropropyl)hexanoate 
• 1584648-37-2 (2S,3R)-6,6,6-trifluoro-3-(((S)-5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)carbamoyl)-2-(3,3,3-trifluoropropyl)hexanoic acid 
• 1584647-28-8 (2R,3S)-N-((3S)-5-(3-chlorophenyl)-9-ethyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-2,3-bis(3,3,3-trifluoropropyl)succinamide 
• 1584648-38-3 (2S,3R)-tert-butyl 3-((5-(3-chlorophenyl)-9-ethyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)carbamoyl)-6,6,6-trifluoro-2-(3,3,3-trifluoropropyl)hexanoate 
• 1584647-29-9 (2S,3R)-3-((5-(3-chlorophenyl)-9-ethyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)carbamoyl)-6,6,6-trifluoro-2-(3,3,3-trifluoropropyl)hexanoic acid 
• 1584648-45-2 (2S,3R)-tert-butyl 6,6,6-trifluoro-3-((5-(3-fluorophenyl)-9-(hydroxymethyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)carbamoyl)-2-(3,3,3-trifluoropropyl)hexanoate 
• 1584648-46-3 (2S,3R)-6,6,6-trifluoro-3-((5-(3-fluorophenyl)-9-(hydroxymethyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)carbamoyl)-2-(3,3,3-trifluoropropyl)hexanoic acid 
• 1584648-52-1 (S)-((S)-3-((2R,3S)-3-carbamoyl-6,6,6-trifluoro-2-(3,3,3-trifluoropropyl)hexanamido)-5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-1-yl)methyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate 
• 1584648-47-4 (R)-tert-butyl 2-((tert-butoxycarbonyl)amino)-3-(((2S,3R)-6,6,6-trifluoro-3-(((S)-5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)carbamoyl)-2-(3,3,3-trifluoropropyl)hexanamido)thio)propanoate 
• 1584647-90-4 tert-butyl S-(((2S,3R)-6,6,6-trifluoro-3-(((3S)-5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)carbamoyl)-2-(3,3,3-trifluoropropyl)hexanoyl)amino)-L-cysteinate 
• 1584648-48-5 (R)-methyl 2-((tert-butoxycarbonyl)amino)-3-(((2S,3R)-6,6,6-trifluoro-3-(((S)-5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)carbamoyl)-2-(3,3,3-trifluoropropyl)hexanamido)thio)propanoate 
• 1584647-92-6 ((3S)-3-(((2R,3S)-3-carbamoyl-6,6,6-trifluoro-2-(3,3,3-trifluoropropyl)hexanoyl)amino)-5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)methyl (4-(phosphonooxy)phenyl)acetate 

Relevant articles and documents

Discovery of clinical candidate BMS-906024: A potent pan-notch inhibitor for the treatment of leukemia and solid tumors

Structure-activity relationships in a series of (2-oxo-1,4-benzodiazepin-3-yl)-succinamides identified highly potent inhibitors of γ-secretase mediated signaling of Notch1/2/3/4 receptors. On the basis of its robust in vivo efficacy at tolerated doses in

ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS

Disclosed are compounds of Formula (I) and/or salts thereof: (I) wherein: R1 is CH2CH2CF3; R2 is CH2(cyclopropyl), CH(CH3)(cyclopropyl), or CH2CH2CH3/

BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF

Disclosed are compounds of Formula (I) and/or salts thereof: wherein R1 is —CH2CH2CF3; R2 is —CH2CH2CF3 or —CH2CH2CH2CF3; R3 is H, —CH3, or Rx; R4 is H or Ry; Ring A is phenyl or pyridinyl; and Rx, Ry, Ra, Rb, y, and z are defined herein. Also disclosed are methods of using such compounds to inhibit the Notch receptor, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as cancer; or as prodrugs of such compounds.

FLUOROALKYL AND FLUOROCYCLOALKYL 1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH|INHIBITORS

Disclosed are compounds of Formula (I): (Formula (I)) wherein: R1 is -CH2CH2CF3; R2 is -CH2CH2CH2F, -CH2CF2CH3, -CH2CH

TRICYCLIC HETEROCYCLIC COMPOUNDS AS NOTCH INHIBITORS

Disclosed are compounds of Formula (I), wherein: X is O or -NR3; R1 is -CH2CH2CH3, -CH2CF3, -CH2CH2CF3, -CH2CF2CH3, -CH2CH2CH2CF3, -CH2CH2CF2CH3, -CH2CH(CH3)CF3, -CH2CH2CH2F, or CH2(cyclopropyl); R2 is -CH2CH2CH3, -CH2CF3, -CH2CH2CF3, -CH2CF2CH3, -CH2CH2CH2CF3, -CH2CH2CH2F, -CH2CH(CH3)CF3, CH2CH2CF2CH3, -CH2(cyclopropyl), -CH(CH3)(cyclopropyl), phenyl, fluorophenyl, chlorophenyl, trifluorophenyl, methylisoxazolyl, pyridinyl, formula (i), formula (ii), formula (iii), formula (iv) or formula (v); Ring A is phenyl or pyridinyl; and R3, Ra, Rb, Rc, y, and z are defined herein. Also disclosed are methods of using such compounds to inhibit the Notch receptor, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as cancer.

N-SUBSTITUTED BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS

Disclosed are compounds of Formula (I): wherein: R1 is -CH2CH2CF3; R2 is -CH2CH2CF3, or -CH2CH2CH2CF3; R3 is -CH

PRODRUGS OF 1,4-BENZODIAZEPINONE COMPOUNDS

Disclosed are compounds of Formula (I) and salts thereof, wherein: a) R1 is H or CH3, and R2 is Ry; or b) R1 is Rx and R2 is H; wherein Rx and Ry are disclosed herein.

BISFLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS

Disclosed are compounds of Formula (I) or prodrugs thereof; wherein: R1 is —CH2CF3 or —CH2CH2CF3; R2 is —CH2CF3, —CH2CH2CF3, or —CH2CH2CH2CF3; R3 is H or —CH3; each Ra is independently F, Cl, —CN, —OCH3, and/or —NHCH2CH2OCH3; and z is zero, 1, or 2. Also disclosed are methods of using such compounds to inhibit the Notch receptor, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as cancer.