WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H200781
CAS#: 204970-97-8 (free base)
Description: CJ-15161 (free base), an opioid κ-receptor agonist, is undergoing development with Pfizer as an analgesic agent.
Hodoodo Cat#: H200781
Name: CJ-15161 (free base)
CAS#: 204970-97-8 (free base)
Chemical Formula: C23H31N3O2
Exact Mass: 381.24
Molecular Weight: 381.511
Elemental Analysis: C, 72.41; H, 8.19; N, 11.01; O, 8.39
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Related CAS #: 204970-99-0 (HCl) 204970-97-8 (free base)
Synonym: CJ15161; CJ15161 ; Benzamide 4(1S)2(3S)3hydroxy1pyrrolidinyl1phenylethylmethylaminoNpropyl .
IUPAC/Chemical Name: 4-(((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)(methyl)amino)-N-propylbenzamide
InChi Key: FHFHNAQEPILWDK-FCHUYYIVSA-N
InChi Code: InChI=1S/C23H31N3O2/c1-3-14-24-23(28)19-9-11-20(12-10-19)25(2)22(18-7-5-4-6-8-18)17-26-15-13-21(27)16-26/h4-12,21-22,27H,3,13-17H2,1-2H3,(H,24,28)/t21-,22+/m0/s1
SMILES Code: O=C(NCCC)C1=CC=C(N([C@@H](C2=CC=CC=C2)CN3C[C@@H](O)CC3)C)C=C1
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO, not in water
Shelf Life: >5 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
More Info: CJ-15,161 is a κ-opioid receptor agonist. Current developer: Pfizer
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
The following data is based on the product molecular weight 381.51 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
1. Ito, Fumitaka; Kondo, Hiroshi. Process for producing pyrrolidinyl- and pyrrolinylethylamine compounds as kappa agonists and pharmaceutical compositions containing them. Hung. Pat. Appl. (2000), 160 pp. CODEN: HUXXCV HU 9903452 A2 20000228 CAN 147:72632 AN 2007:370172 CAPLUS
2. Andresen, Brian M.; Caron, Stephane; Couturier, Michel; DeVries, Keith M.; Do, Nga M.; Dupont-Gaudet, Kristina; Ghosh, Arun; Girardin, Melina; Hawkins, Joel M.; Makowski, Teresa M.; Riou, Maxime; Sieser, Janice E.; Tucker, John L.; Vanderplas, Brian C.; Watson, Timothy J. N. Process research and scale-up of the -opioid receptor agonist CJ-15,161 drug candidate. Chimia (2006), 60(9), 554-560. CODEN: CHIMAD ISSN:0009-4293. CAN 147:257605 AN 2006:1141127 CAPLUS
3. Ghosh, Arun; Sieser, Janice E.; Caron, Stephane; Couturier, Michel; Dupont-Gaudet, Kristina; Girardin, Melina. Cu-Catalyzed N-Arylation of Oxazolidinones: An Efficient Synthesis of the -Opioid Receptor Agonist CJ-15161. Journal of Organic Chemistry (2006), 71(3), 1258-1261. CODEN: JOCEAH ISSN:0022-3263. CAN 144:232953 AN 2006:18454 CAPLUS
4. Couturier, Michel; Tucker, John L.; Andresen, Brian M.; DeVries, Keith M.; Vanderplas, Brian C.; Ito, Fumitaka. Efficient synthesis of the -opioid receptor agonist CJ-15,161: four stereospecific inversions at a single aziridinium stereogenic center. Tetrahedron: Asymmetry (2003), 14(22), 3517-3523. CODEN: TASYE3 ISSN:0957-4166. CAN 140:111217 AN 2003:877272 CAPLUS
5. Quallich, George Joseph; Castaldi, Michael James. Preparation of crystalline anhydrous and monohydrate benzoate salts of (2'S,3S)-3-hydroxy-N-[2-[N-methyl-N-4-[(N-propylamino)carbonyl]phenyl]amino-2-phenyl]ethylpyrrolidine as -opioid receptor agonists. PCT Int. Appl. (2003), 16 pp. CODEN: PIXXD2 WO 2003072544 A1 20030904 CAN 139:230618 AN 2003:696867 CAPLUS
6. Devries, Keith M.; Couturier, Michel A.; Andresen, Brian M.; Tucker, John L.; Ito, Fumitaka. Preparation of hydroxypyrrolidinyl ethylamine compounds useful as selective -opioid receptor agonists. U.S. Pat. Appl. Publ. (2002), 13 pp. CODEN: USXXCO US 2002161241 A1 20021031 CAN 137:337777 AN 2002:833565 CAPLUS
7. Ghosh, Arun; Sieser, Janice E.; Caron, Stephane; Watson, Timothy J. N. Synthesis of the kappa-agonist CJ-15,161 via a palladium-catalyzed cross-coupling reaction. Chemical Communications (Cambridge, United Kingdom) (2002), (15), 1644-1645. CODEN: CHCOFS ISSN:1359-7345. CAN 138:73134 AN 2002:517323 CAPLUS
8. Ito, Fumitaka; Kondo, Hiroshi. Preparation of pyrrolidinyl- and pyrrolinylethylarylamines as kappa opioid receptor agonists. U.S. (2001), 39 pp., Cont.-in-part of Appl. No. PCT/IB96/00957. CODEN: USXXAM US 6201007 B1 20010313 CAN 134:222619 AN 2001:178439 CAPLUS
9. Ito, Fumitaka; Kondo, Hiroshi. Preparation of pyrrolidinyl- and pyrrolinylethylamines as kappa agonists. PCT Int. Appl. (1998), 129 pp. CODEN: PIXXD2 WO 9812177 A1 19980326 CAN 128:243949 AN 1998:199673 CAPLUS
