130332-27-3,MFCD09971101
Catalog No.:AA00803V

130332-27-3 | 3-[[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-1-phenyl-ethyl]carbamoyl]propanoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
10mg
As reported
2 weeks  
$1,167.00   $817.00
- +
50mg
As reported
2 weeks  
$3,242.00   $2,269.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00803V
Chemical Name:
3-[[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-1-phenyl-ethyl]carbamoyl]propanoic acid
CAS Number:
130332-27-3
Molecular Formula:
C35H42N4O6
Molecular Weight:
614.7312
MDL Number:
MFCD09971101
SMILES:
O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O
Properties
Computed Properties
 
Complexity:
1070  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
45  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0  
Rotatable Bond Count:
13  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.3  

Literature

Title: Relationship between vulnerability to reinforcing effects of morphine and activity of the endogenous cholecystokinin system in Lewis and Fischer rats.

Journal: Addiction biology 20120501

Title: Chronic stress induces transient spinal neuroinflammation, triggering sensory hypersensitivity and long-lasting anxiety-induced hyperalgesia.

Journal: Pain 20100801

Title: Role of spinal cholecystokinin in neuropathic pain after spinal cord hemisection in rats.

Journal: Neuroscience letters 20091025

Title: Pain management by a new series of dual inhibitors of enkephalin degrading enzymes: long lasting antinociceptive properties and potentiation by CCK2 antagonist or methadone.

Journal: Pain 20030701

Title: The neurochemical effects of anxiolytic drugs are dependent on rearing conditions in Fawn-Hooded rats.

Journal: Progress in neuro-psychopharmacology & biological psychiatry 20030501

Title: CI-988 inhibits growth of small cell lung cancer cells.

Journal: The Journal of pharmacology and experimental therapeutics 20011201

Title: Enhancement of the effects of a complete inhibitor of enkephalin-catabolizing enzymes, RB 101, by a cholecystokinin-B receptor antagonist in diabetic rats.

Journal: British journal of pharmacology 20010501

Title: Role of cholecystokinin in the reduction of endomorphin-2-induced antinociception in diabetic mice.

Journal: European journal of pharmacology 20010323

Title: The role of spinal cholecystokinin B receptors in thermal allodynia and hyperalgesia in diabetic mice.

Journal: Brain research 20010223

Title: Synthesis and SAR of new 5-phenyl-3-ureido-1,5-benzodiazepines as cholecystokinin-B receptor antagonists.

Journal: Journal of medicinal chemistry 20001005

Title: Characterization of the binding of a novel radioligand to CCKB/gastrin receptors in membranes from rat cerebral cortex.

Journal: British journal of pharmacology 19990301

Title: Second generation 'peptoid' CCK-B receptor antagonists: identification and development of N-(adamantyloxycarbonyl)-alpha-methyl-(R)-tryptophan derivative (CI-1015) with an improved pharmacokinetic profile.

Journal: Journal of medicinal chemistry 19980101

Title: Cholecystokinin B antagonists. Synthesis and quantitative structure-activity relationships of a series of C-terminal analogues of CI-988.

Journal: Bioorganic & medicinal chemistry 19961001

Title: Pharmacological characterization of a Chinese hamster ovary cell line transfected with the human CCK-B receptor gene.

Journal: Neuropeptides 19960801

Title: Role of N- and C-terminal substituents on the CCK-B agonist-antagonist pharmacological profile of Boc-Trp-Phg-Asp-Nal-NH2 derivatives.

Journal: Bioorganic & medicinal chemistry 19960401

Title: His381 of the rat CCKB receptor is essential for CCKB versus CCKA receptor antagonist selectivity.

Journal: European journal of pharmacology 19960118

Title: Pharmacological profile of (R)-1-[2,3-dihydro-1-(2'-methylphenacyl)-2-oxo- 5-phenyl-1H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea (YM022), a new potent and selective gastrin/cholecystokinin-B receptor antagonist, in vitro and in vivo.

Journal: The Journal of pharmacology and experimental therapeutics 19940501

Title: The CCK-B antagonist CI988 enhances the reflex-depressive effect of morphine in axotomized rats.

Journal: Neuroreport 19940224

Title: Development of a class of selective cholecystokinin type B receptor antagonists having potent anxiolytic activity.

Journal: Proceedings of the National Academy of Sciences of the United States of America 19900901

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SDS
Tags:130332-27-3 Molecular Formula|130332-27-3 MDL|130332-27-3 SMILES|130332-27-3 3-[[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-1-phenyl-ethyl]carbamoyl]propanoic acid
Catalog No.: AA00803V
130332-27-3,MFCD09971101
130332-27-3 | 3-[[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-1-phenyl-ethyl]carbamoyl]propanoic acid
Pack Size: 10mg
Purity: As reported
2 weeks
$1,167.00 $817.00
Pack Size: 50mg
Purity: As reported
2 weeks
$3,242.00 $2,269.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00803V
Chemical Name: 3-[[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-1-phenyl-ethyl]carbamoyl]propanoic acid
CAS Number: 130332-27-3
Molecular Formula: C35H42N4O6
Molecular Weight: 614.7312
MDL Number: MFCD09971101
SMILES: O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O
Properties
Complexity: 1070  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 2  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 45  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 5  
Isotope Atom Count: 0  
Rotatable Bond Count: 13  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.3  
Literature fold

Title: Relationship between vulnerability to reinforcing effects of morphine and activity of the endogenous cholecystokinin system in Lewis and Fischer rats.

Journal: Addiction biology20120501

Title: Chronic stress induces transient spinal neuroinflammation, triggering sensory hypersensitivity and long-lasting anxiety-induced hyperalgesia.

Journal: Pain20100801

Title: Role of spinal cholecystokinin in neuropathic pain after spinal cord hemisection in rats.

Journal: Neuroscience letters20091025

Title: Pain management by a new series of dual inhibitors of enkephalin degrading enzymes: long lasting antinociceptive properties and potentiation by CCK2 antagonist or methadone.

Journal: Pain20030701

Title: The neurochemical effects of anxiolytic drugs are dependent on rearing conditions in Fawn-Hooded rats.

Journal: Progress in neuro-psychopharmacology & biological psychiatry20030501

Title: CI-988 inhibits growth of small cell lung cancer cells.

Journal: The Journal of pharmacology and experimental therapeutics20011201

Title: Enhancement of the effects of a complete inhibitor of enkephalin-catabolizing enzymes, RB 101, by a cholecystokinin-B receptor antagonist in diabetic rats.

Journal: British journal of pharmacology20010501

Title: Role of cholecystokinin in the reduction of endomorphin-2-induced antinociception in diabetic mice.

Journal: European journal of pharmacology20010323

Title: The role of spinal cholecystokinin B receptors in thermal allodynia and hyperalgesia in diabetic mice.

Journal: Brain research20010223

Title: Synthesis and SAR of new 5-phenyl-3-ureido-1,5-benzodiazepines as cholecystokinin-B receptor antagonists.

Journal: Journal of medicinal chemistry20001005

Title: Characterization of the binding of a novel radioligand to CCKB/gastrin receptors in membranes from rat cerebral cortex.

Journal: British journal of pharmacology19990301

Title: Second generation 'peptoid' CCK-B receptor antagonists: identification and development of N-(adamantyloxycarbonyl)-alpha-methyl-(R)-tryptophan derivative (CI-1015) with an improved pharmacokinetic profile.

Journal: Journal of medicinal chemistry19980101

Title: Cholecystokinin B antagonists. Synthesis and quantitative structure-activity relationships of a series of C-terminal analogues of CI-988.

Journal: Bioorganic & medicinal chemistry19961001

Title: Pharmacological characterization of a Chinese hamster ovary cell line transfected with the human CCK-B receptor gene.

Journal: Neuropeptides19960801

Title: Role of N- and C-terminal substituents on the CCK-B agonist-antagonist pharmacological profile of Boc-Trp-Phg-Asp-Nal-NH2 derivatives.

Journal: Bioorganic & medicinal chemistry19960401

Title: His381 of the rat CCKB receptor is essential for CCKB versus CCKA receptor antagonist selectivity.

Journal: European journal of pharmacology19960118

Title: Pharmacological profile of (R)-1-[2,3-dihydro-1-(2'-methylphenacyl)-2-oxo- 5-phenyl-1H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea (YM022), a new potent and selective gastrin/cholecystokinin-B receptor antagonist, in vitro and in vivo.

Journal: The Journal of pharmacology and experimental therapeutics19940501

Title: The CCK-B antagonist CI988 enhances the reflex-depressive effect of morphine in axotomized rats.

Journal: Neuroreport19940224

Title: Development of a class of selective cholecystokinin type B receptor antagonists having potent anxiolytic activity.

Journal: Proceedings of the National Academy of Sciences of the United States of America19900901

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