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MedKoo Cat#: 562554 | Name: LP-533401 HCl

Description:

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

LP-533401 HCl is an inhibitor of tryptophan hydroxylase-1 (Tph-1), the initial enzyme in gut-derived serotonin (GDS) biosynthesis..

Chemical Structure

LP-533401 HCl
LP-533401 HCl
CAS#1040526-12-2

Theoretical Analysis

MedKoo Cat#: 562554

Name: LP-533401 HCl

CAS#: 1040526-12-2

Chemical Formula: C27H23ClF4N4O3

Exact Mass:

Molecular Weight: 562.94

Elemental Analysis: C, 57.61; H, 4.12; Cl, 6.30; F, 13.50; N, 9.95; O, 8.53

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 #
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Synonym
LP-533401 HCl; LP 533401 HCl; LP533401 HCl; LP-533401 Hydrochloride; LP 533401 Hydrochloride; LP533401 Hydrochloride;
IUPAC/Chemical Name
2(S)-Amino-3-(4-{2-amino-6-[2,2,2-trifluoro-1-(3'-fluoro-biphenyl-4-yl)-ethoxy]-pyrimidin-4-yl}-phenyl)-propionic acid Hydrochloride
InChi Key
BHBWZCUMIXCDPM-CHXZROHQSA-N
InChi Code
InChI=1S/C27H22F4N4O3.ClH/c28-20-3-1-2-19(13-20)16-8-10-18(11-9-16)24(27(29,30)31)38-23-14-22(34-26(33)35-23)17-6-4-15(5-7-17)12-21(32)25(36)37;/h1-11,13-14,21,24H,12,32H2,(H,36,37)(H2,33,34,35);1H/t21-,24?;/m0./s1
SMILES Code
O=C(O)[C@@H](N)CC1=CC=C(C2=NC(N)=NC(OC(C3=CC=C(C4=CC=CC(F)=C4)C=C3)C(F)(F)F)=C2)C=C1.[H]Cl
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
>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

Preparing Stock Solutions

The following data is based on the product molecular weight 562.94 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: Lima GM, Corazza BJ, Moraes RM, de Oliveira FE, de Oliveira LD, Franco GC, Perrien DS, Elefteriou F, Anbinder AL. The effect of an inhibitor of gut serotonin (LP533401) during the induction of periodontal disease. J Periodontal Res. 2016 Oct;51(5):661-8. doi: 10.1111/jre.12346. Epub 2016 Jan 6. PubMed PMID: 26740292; PubMed Central PMCID: PMC5630139. 2: Zong JC, Wang X, Zhou X, Wang C, Chen L, Yin LJ, He BC, Deng ZL. Gut-derived serotonin induced by depression promotes breast cancer bone metastasis through the RUNX2/PTHrP/RANKL pathway in mice. Oncol Rep. 2016 Feb;35(2):739-48. doi: 10.3892/or.2015.4430. Epub 2015 Nov 16. PubMed PMID: 26573960. 3: Krevvata M, Silva BC, Manavalan JS, Galan-Diez M, Kode A, Matthews BG, Park D, Zhang CA, Galili N, Nickolas TL, Dempster DW, Dougall W, Teruya-Feldstein J, Economides AN, Kalajzic I, Raza A, Berman E, Mukherjee S, Bhagat G, Kousteni S. Inhibition of leukemia cell engraftment and disease progression in mice by osteoblasts. Blood. 2014 Oct 30;124(18):2834-46. doi: 10.1182/blood-2013-07-517219. Epub 2014 Aug 18. PubMed PMID: 25139351; PubMed Central PMCID: PMC4314530. 4: Abid S, Houssaini A, Chevarin C, Marcos E, Tissot CM, Gary-Bobo G, Wan F, Mouraret N, Amsellem V, Dubois-Randé JL, Hamon M, Adnot S. Inhibition of gut- and lung-derived serotonin attenuates pulmonary hypertension in mice. Am J Physiol Lung Cell Mol Physiol. 2012 Sep 15;303(6):L500-8. doi: 10.1152/ajplung.00049.2012. Epub 2012 Jul 13. PubMed PMID: 22797248. 5: Inose H, Zhou B, Yadav VK, Guo XE, Karsenty G, Ducy P. Efficacy of serotonin inhibition in mouse models of bone loss. J Bone Miner Res. 2011 Sep;26(9):2002-11. doi: 10.1002/jbmr.439. PubMed PMID: 21608033. 6: Karsenty G, Yadav VK. Regulation of bone mass by serotonin: molecular biology and therapeutic implications. Annu Rev Med. 2011;62:323-31. doi: 10.1146/annurev-med-090710-133426. Review. PubMed PMID: 21073335. 7: Yadav VK, Balaji S, Suresh PS, Liu XS, Lu X, Li Z, Guo XE, Mann JJ, Balapure AK, Gershon MD, Medhamurthy R, Vidal M, Karsenty G, Ducy P. Pharmacological inhibition of gut-derived serotonin synthesis is a potential bone anabolic treatment for osteoporosis. Nat Med. 2010 Mar;16(3):308-12. doi: 10.1038/nm.2098. Epub 2010 Feb 7. PubMed PMID: 20139991; PubMed Central PMCID: PMC2836724.

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