MLN120B HCl
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MedKoo CAT#: 532254

CAS#: 1782573-78-7 (2HCl)

Description: MLN-120B is a potent and effective inhibitor of IκB kinase beta subunit (IKKβ) with IC50 value of 20 μM. MLN-120B blocks multiple myeloma cell growth in vitro and in vivo.


Chemical Structure

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MLN120B HCl
CAS# 1782573-78-7 (2HCl)

Theoretical Analysis

MedKoo Cat#: 532254
Name: MLN120B HCl
CAS#: 1782573-78-7 (2HCl)
Chemical Formula: C19H17Cl3N4O2
Exact Mass: 366.09
Molecular Weight: 439.721
Elemental Analysis: C, 51.90; H, 3.90; Cl, 24.19; N, 12.74; O, 7.28

Price and Availability

Size Price Availability Quantity
25mg USD 450 2 weeks
50mg USD 750 2 weeks
100mg USD 1350 2 Weeks
200mg USD 2250 2 Weeks
500mg USD 3850 2 Weeks
1g USD 4950 2 Weeks
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Related CAS #: 1782573-78-7 (2HCl)   783348-36-7 (free base)   1350272-92-2 (HCl)    

Synonym: MLN-120B; MLN120B; MLN 120B; MLN120B HCl; MLN120B hydrochloride

IUPAC/Chemical Name: N-{6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl}-2-methylpyridine-3-carboxamide dihydrochloride

InChi Key: AWKOVWFBTRXQLW-UHFFFAOYSA-N

InChi Code: InChI=1S/C19H15ClN4O2.2ClH/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16;;/h3-9,23H,1-2H3,(H,24,25);2*1H

SMILES Code: O=C(C1=CC=CN=C1C)NC2=C(OC)C(Cl)=CC3=C2NC4=C3C=CN=C4.[H]Cl.[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:

Product Data:
Biological target: MLN120B dihydrochloride (ML120B dihydrochloride) is a potent, ATP competitive, and orally active inhibitor of IKKβ with an IC50 of 60 nM.
In vitro activity: MLN120B inhibits both baseline and tumor necrosis factor-alpha-induced nuclear factor-kappaB activation, associated with down-regulation of IkappaBalpha and p65 nuclear factor-kappaB phosphorylation. MLN120B triggers 25% to 90% growth inhibition in a dose-dependent fashion in multiple myeloma cell lines and significantly augments tumor necrosis factor-alpha-induced cytotoxicity in MM.1S cells. MLN120B augments growth inhibition triggered by doxorubicin and melphalan in both RPMI 8226 and IL-6-dependent INA6 cell lines. Reference: Clin Cancer Res. 2006 Oct 1;12(19):5887-94. https://pubmed.ncbi.nlm.nih.gov/17020997/
In vivo activity: Polyarthritis was induced in rats by injection of Freund's complete adjuvant into the hind footpad. ML120B was administered orally twice daily, either prophylactically or therapeutically. Oral administration of ML120B inhibited paw swelling in a dose-dependent manner (median effective dosage 12 mg/kg twice daily) and offered significant protection against arthritis-induced weight loss as well as cartilage and bone erosion. This study was able to directly demonstrate that NF-kappaB activity in arthritic joints was reduced after ML120B administration. Reference: Arthritis Rheum. 2006 Oct;54(10):3163-73. https://pubmed.ncbi.nlm.nih.gov/17009244/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 12.7 28.95
Water 2.2 5.00

Preparing Stock Solutions

The following data is based on the product molecular weight 439.72 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
Formulation protocol: 1. Al-Katib A, Arnold AA, Aboukameel A, Sosin A, Smith P, Mohamed AN, Beck FW, Mohammad RM. I-kappa-kinase-2 (IKK-2) inhibition potentiates vincristine cytotoxicity in non-Hodgkin's lymphoma. Mol Cancer. 2010 Sep 1;9:228. doi: 10.1186/1476-4598-9-228. PMID: 20809973; PMCID: PMC2940845. 2. Hideshima T, Neri P, Tassone P, Yasui H, Ishitsuka K, Raje N, Chauhan D, Podar K, Mitsiades C, Dang L, Munshi N, Richardson P, Schenkein D, Anderson KC. MLN120B, a novel IkappaB kinase beta inhibitor, blocks multiple myeloma cell growth in vitro and in vivo. Clin Cancer Res. 2006 Oct 1;12(19):5887-94. doi: 10.1158/1078-0432.CCR-05-2501. PMID: 17020997. 3. Schopf L, Savinainen A, Anderson K, Kujawa J, DuPont M, Silva M, Siebert E, Chandra S, Morgan J, Gangurde P, Wen D, Lane J, Xu Y, Hepperle M, Harriman G, Ocain T, Jaffee B. IKKbeta inhibition protects against bone and cartilage destruction in a rat model of rheumatoid arthritis. Arthritis Rheum. 2006 Oct;54(10):3163-73. doi: 10.1002/art.22081. PMID: 17009244. 4. Nagashima K, Sasseville VG, Wen D, Bielecki A, Yang H, Simpson C, Grant E, Hepperle M, Harriman G, Jaffee B, Ocain T, Xu Y, Fraser CC. Rapid TNFR1-dependent lymphocyte depletion in vivo with a selective chemical inhibitor of IKKbeta. Blood. 2006 Jun 1;107(11):4266-73. doi: 10.1182/blood-2005-09-3852. Epub 2006 Jan 26. PMID: 16439676.
In vitro protocol: 1. Al-Katib A, Arnold AA, Aboukameel A, Sosin A, Smith P, Mohamed AN, Beck FW, Mohammad RM. I-kappa-kinase-2 (IKK-2) inhibition potentiates vincristine cytotoxicity in non-Hodgkin's lymphoma. Mol Cancer. 2010 Sep 1;9:228. doi: 10.1186/1476-4598-9-228. PMID: 20809973; PMCID: PMC2940845. 2. Hideshima T, Neri P, Tassone P, Yasui H, Ishitsuka K, Raje N, Chauhan D, Podar K, Mitsiades C, Dang L, Munshi N, Richardson P, Schenkein D, Anderson KC. MLN120B, a novel IkappaB kinase beta inhibitor, blocks multiple myeloma cell growth in vitro and in vivo. Clin Cancer Res. 2006 Oct 1;12(19):5887-94. doi: 10.1158/1078-0432.CCR-05-2501. PMID: 17020997.
In vivo protocol: 1. Schopf L, Savinainen A, Anderson K, Kujawa J, DuPont M, Silva M, Siebert E, Chandra S, Morgan J, Gangurde P, Wen D, Lane J, Xu Y, Hepperle M, Harriman G, Ocain T, Jaffee B. IKKbeta inhibition protects against bone and cartilage destruction in a rat model of rheumatoid arthritis. Arthritis Rheum. 2006 Oct;54(10):3163-73. doi: 10.1002/art.22081. PMID: 17009244. 2. Nagashima K, Sasseville VG, Wen D, Bielecki A, Yang H, Simpson C, Grant E, Hepperle M, Harriman G, Jaffee B, Ocain T, Xu Y, Fraser CC. Rapid TNFR1-dependent lymphocyte depletion in vivo with a selective chemical inhibitor of IKKbeta. Blood. 2006 Jun 1;107(11):4266-73. doi: 10.1182/blood-2005-09-3852. Epub 2006 Jan 26. PMID: 16439676.

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1: Hideshima T, Neri P, Tassone P, Yasui H, Ishitsuka K, Raje N, Chauhan D, Podar K, Mitsiades C, Dang L, Munshi N, Richardson P, Schenkein D, Anderson KC. MLN120B, a novel IkappaB kinase beta inhibitor, blocks multiple myeloma cell growth in vitro and in vivo. Clin Cancer Res. 2006 Oct 1;12(19):5887-94. PubMed PMID: 17020997.