MedKoo Cat#: 412290 | Name: Caracurine V

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Caracurine V is a biochemical isolated from stembark of Strychnos chrysophylla.

Chemical Structure

Caracurine V
Caracurine V
CAS#630-87-5

Theoretical Analysis

MedKoo Cat#: 412290

Name: Caracurine V

CAS#: 630-87-5

Chemical Formula: C38H40N4O2

Exact Mass: 584.3151

Molecular Weight: 584.76

Elemental Analysis: C, 78.05; H, 6.90; N, 9.58; O, 5.47

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Synonym
Caracurine V
IUPAC/Chemical Name
(1R,9R,16S,18R,19R,20S,21R,29R,36S,38R,39R,40S)-10,30-dioxa-8,15,28,35-tetrazatridecacyclo[33.5.2.215,21.01,36.02,7.08,40.09,19.013,18.016,21.020,28.022,27.029,39.033,38]tetratetraconta-2,4,6,12,22,24,26,32-octaene
InChi Key
CIRUUTNLDXXBKU-HCKBHOMASA-N
InChi Code
InChI=1S/C38H40N4O2/c1-3-7-27-25(5-1)37-11-13-39-19-21-10-16-44-36-31(23(21)17-29(37)39)33(37)41(27)35-32-24-18-30-38(12-14-40(30)20-22(24)9-15-43-35)26-6-2-4-8-28(26)42(36)34(32)38/h1-10,23-24,29-36H,11-20H2/t23-,24-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+/m0/s1
SMILES Code
[C@@H]12OCC=C3CN4[C@H]5C[C@@H]3[C@@H]1[C@H](N(c6c7cccc6)[C@@H]8OCC=C9CN%10CC[C@@]%11%12[C@@H]%10C[C@@H]9[C@@H]8[C@@H]%11N2c%13c%12cccc%13)[C@@]57CC4
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
Shelf Life
>3 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

Preparing Stock Solutions

The following data is based on the product molecular weight 584.76 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.

Recalculate based on batch purity %
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
1: Jensen AA, Zlotos DP, Liljefors T. Pharmacological characteristics and binding modes of caracurine V analogues and related compounds at the neuronal alpha7 nicotinic acetylcholine receptor. J Med Chem. 2007 Sep 20;50(19):4616-29. doi: 10.1021/jm070574f. Epub 2007 Aug 28. PMID: 17722904. 2: Zlotos DP, Gündisch D, Ferraro S, Tilotta MC, Stiefl N, Baumann K. Bisquaternary caracurine V and iso-caracurine V salts as ligands for the muscle type of nicotinic acetylcholine receptors: SAR and QSAR studies. Bioorg Med Chem. 2004 Dec 1;12(23):6277-85. doi: 10.1016/j.bmc.2004.08.053. PMID: 15519170. 3: Zlotos DP, Buller S, Stiefl N, Baumann K, Mohr K. Probing the pharmacophore for allosteric ligands of muscarinic M2 receptors: SAR and QSAR studies in a series of bisquaternary salts of caracurine V and related ring systems. J Med Chem. 2004 Jul 1;47(14):3561-71. doi: 10.1021/jm0311341. PMID: 15214783. 4: Jöhren K, Höltje HD. A model of the human M2 muscarinic acetylcholine receptor. J Comput Aided Mol Des. 2002 Nov;16(11):795-801. doi: 10.1023/a:1023880611709. PMID: 12825791. 5: Voigtländer U, Jöhren K, Mohr M, Raasch A, Tränkle C, Buller S, Ellis J, Höltje HD, Mohr K. Allosteric site on muscarinic acetylcholine receptors: identification of two amino acids in the muscarinic M2 receptor that account entirely for the M2/M5 subtype selectivities of some structurally diverse allosteric ligands in N-methylscopolamine-occupied receptors. Mol Pharmacol. 2003 Jul;64(1):21-31. doi: 10.1124/mol.64.1.21. PMID: 12815157. 6: Zlotos DP. iso-caracurine V, a novel unexpected decomposition product of caracurine V. J Nat Prod. 2003 Jan;66(1):119-20. doi: 10.1021/np020336h. PMID: 12542358. 7: Buller S, Zlotos DP, Mohr K, Ellis J. Allosteric site on muscarinic acetylcholine receptors: a single amino acid in transmembrane region 7 is critical to the subtype selectivities of caracurine V derivatives and alkane- bisammonium ligands. Mol Pharmacol. 2002 Jan;61(1):160-8. doi: 10.1124/mol.61.1.160. PMID: 11752217. 8: Zlotos DP, Buller S, Tränkle C, Mohr K. Bisquaternary caracurine V derivatives as allosteric modulators of ligand binding to M2 acetylcholine receptors. Bioorg Med Chem Lett. 2000 Nov 20;10(22):2529-32. doi: 10.1016/s0960-894x(00)00509-6. PMID: 11086722. 9: Zlotos DP. Stereochemistry of caracurine V. J Nat Prod. 2000 Jun;63(6):864-5. doi: 10.1021/np990500+. PMID: 10869223. 10: Verpoorte R, Aadewiel J, Strömbom J, Baerheim Svendsen A. Alkaloids from Strychnos chrysophylla. J Ethnopharmacol. 1984 Apr;10(2):243-7. doi: 10.1016/0378-8741(84)90006-0. PMID: 6547194. 11: Verpoorte R, Baerheim Svendsen A. Alkaloids of Strychnos dolichothyrsa Gilg ex Onochie et Hepper. J Pharm Sci. 1978 Feb;67(2):171-4. doi: 10.1002/jps.2600670213. PMID: 621631.