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MedKoo Cat#: 524482 | Name: BMS-505130

Description:

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

BMS-505130 is a potent and selective serotonin transport inhibitor; K(i) for binding to the serotonin transporter = 0.18 nM (K(i) values for binding to the norepinephrine and dopamine transporters = 4.6 and 2.1 microM, respectively)

Chemical Structure

BMS-505130
BMS-505130
CAS#859230-84-5 (BMS-505130)

Theoretical Analysis

MedKoo Cat#: 524482

Name: BMS-505130

CAS#: 859230-84-5 (BMS-505130)

Chemical Formula: C19H21N3O4

Exact Mass:

Molecular Weight: 355.39

Elemental Analysis: C, 64.21; H, 5.96; N, 11.82; O, 18.01

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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Related CAS #
No Data
Synonym
BMS-505130; BMS 505130; BMS505130; BMS-505130 free base; UNII-E892TW82D9; E892TW82D9.
IUPAC/Chemical Name
1H-Indole-5-carbonitrile, 3-((1S,2S)-2-((dimethylamino)methyl)cyclopropyl)-, (2Z)-2-butenedioate (1:1)
InChi Key
FCBQJNCAKZSIAH-NDEPHWFRSA-N
InChi Code
InChI=1S/C21H23FN2O3S/c22-17-3-1-15(2-4-17)13-16-7-9-24(10-8-16)11-12-28(26)18-5-6-19-20(14-18)27-21(25)23-19/h1-6,14,16H,7-13H2,(H,23,25)/t28-/m0/s1
SMILES Code
CN(C)C[C@H]1C[C@@H]1c2c[nH]c3c2cc(cc3)C#N.C(=C\C(=O)O)\C(=O)O
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
>2 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
Related: 859230-84-5 (BMS-505130) 468715-83-5 (BMS-505130 free base).

Preparing Stock Solutions

The following data is based on the product molecular weight 355.39 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: Mattson RJ, Catt JD, Denhart DJ, Deskus JA, Ditta JL, Higgins MA, Marcin LR, Sloan CP, Beno BR, Gao Q, Cunningham MA, Mattson GK, Molski TF, Taber MT, Lodge NJ. Conformationally restricted homotryptamines. 2. Indole cyclopropylmethylamines as selective serotonin reuptake inhibitors. J Med Chem. 2005 Sep 22;48(19):6023-34. PubMed PMID: 16162005. 2: Marcin LR, Denhart DJ, Mattson RJ. Catalytic asymmetric diazoacetate cyclopropanation of 1-tosyl-3-vinylindoles. A route to conformationally restricted homotryptamines. Org Lett. 2005 Jun 23;7(13):2651-4. PubMed PMID: 15957913. 3: Taber MT, Wright RN, Molski TF, Clarke WJ, Brassil PJ, Denhart DJ, Mattson RJ, Lodge NJ. Neurochemical, pharmacokinetic, and behavioral effects of the novel selective serotonin reuptake inhibitor BMS-505130. Pharmacol Biochem Behav. 2005 Mar;80(3):521-8. PubMed PMID: 15740795.