ABT-737
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MedKoo CAT#: 200444

CAS#: 852808-04-9

Description: ABT-737 is an orally available inhibitor of the nuclear enzymes poly(ADP-ribose) polymerase (PARP) 1 and 2, with potential antineoplastic activity. Upon administration, ABT-767 selectively binds to PARP 1 and 2, thereby preventing repair of damaged DNA via the base excision repair (BER) pathway. This agent enhances the accumulation of DNA strand breaks and promotes genomic instability eventually leading to apoptosis. ABT-767 may enhance the cytotoxicity of DNA-damaging agents and reverse tumor cell chemo- and radioresistance.


Chemical Structure

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ABT-737
CAS# 852808-04-9

Theoretical Analysis

MedKoo Cat#: 200444
Name: ABT-737
CAS#: 852808-04-9
Chemical Formula: C42H45ClN6O5S2
Exact Mass: 812.25814
Molecular Weight: 813.43
Elemental Analysis: C, 62.02; H, 5.58; Cl, 4.36; N, 10.33; O, 9.83; S, 7.88

Price and Availability

Size Price Availability Quantity
10.0mg USD 150.0 Same day
25.0mg USD 250.0 Same day
50.0mg USD 450.0 Same day
100.0mg USD 850.0 Same day
200.0mg USD 1650.0 Same day
500.0mg USD 2950.0 Same day
1.0g USD 4650.0 Same day
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Synonym: ABT 737; ABT-737; ABT737.

IUPAC/Chemical Name: (R)-4-(4-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((4-((4-(dimethylamino)-1-(phenylthio)butan-2-yl)amino)-3-nitrophenyl)sulfonyl)benzamide

InChi Key: HPLNQCPCUACXLM-PGUFJCEWSA-N

InChi Code: InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1

SMILES Code: O=C(NS(=O)(C1=CC=C(N[C@H](CCN(C)C)CSC2=CC=CC=C2)C([N+]([O-])=O)=C1)=O)C3=CC=C(N4CCN(CC5=CC=CC=C5C6=CC=C(Cl)C=C6)CC4)C=C3

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

Biological target: ABT-737 is a selective and BH3 mimetic Bcl-2, Bcl-xL and Bcl-w inhibitor with EC50s of 30.3 nM, 78.7 nM, and 197.8 nM, respectively.
In vitro activity: Both gastric carcinoma cell lines produced Bcl-2, Bcl-XL and Mcl-1 protein, as shown by Western blot analysis (Fig. 1A). Untreated SGC-7901 cells produced a significantly higher level of Bcl-2 protein than MGC-803 cells (P < 0.001), whereas untreated MGC803 cells had a significantly higher level of Mcl-1 protein than SGC-7901 cells (P < 0.001). There was no significant difference in the level of Bcl-XL between the two cell lines. Treatment with ABT-737 resulted in significant inhibition of the proliferation of both SGC-7901 (Fig. 1B) and MGC-803 (Fig. 1C) cells in concentration- and timedependent manners (P < 0.001 for both at 20 µM ABT-737 after 72 h). SGC-7901 cells were more sensitive to ABT-737 than MGC-803 cells. Treatment with ABT-737 (5 µM) resulted in a significant increase in the rate of apoptosis of both SGC-7901 (Fig. 3A) and MGC-803 (Fig. 3B) cells compared with vehicle (P < 0.05). Reference: J Int Med Res. 2012;40(4):1251-64. https://journals.sagepub.com/doi/10.1177/147323001204000404?url_ver=Z39.88-2003&rfr_id=ori:rid:crossref.org&rfr_dat=cr_pub%20%200pubmed
In vivo activity: Solid SGC-7901 gastric carcinoma xenograft tumours in the control group grew very quickly, reaching a mean ± SD volume of 1007.4 ± 112.3 mm3 at 15 days (Fig. 5A). In contrast, tumours treated with ABT-737 were significantly smaller than control tumours, reaching a mean ± SD volume of 648.6 ± 89.1 and 483.5 ± 71.5 mm3, respectively (P < 0.05 versus control). The rate of apoptosis in vivo was assessed in solid SGC-7901 gastric carcinoma xenograft tumours harvested 15 days after treatment. Consistent with the in vitro data, compared with control tumours, those treated with ABT-737 had a significantly increased rate of apoptosis (210% higher than control; P < 0.05 or P < 0.001, respectively) (Fig. 5B). Reference: J Int Med Res. 2012;40(4):1251-64. https://journals.sagepub.com/doi/10.1177/147323001204000404?url_ver=Z39.88-2003&rfr_id=ori:rid:crossref.org&rfr_dat=cr_pub%20%200pubmed

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 50.0 61.47

Preparing Stock Solutions

The following data is based on the product molecular weight 813.43 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
In vitro protocol: 1. Sun XP, Zhang X, He C, Qiao H, Jiang X, Jiang H, Sun X. ABT-737 synergizes with arsenic trioxide to induce apoptosis of gastric carcinoma cells in vitro and in vivo. J Int Med Res. 2012;40(4):1251-64. doi: 10.1177/147323001204000404. PMID: 22971477. 2. Clerc P, Carey GB, Mehrabian Z, Wei M, Hwang H, Girnun GD, Chen H, Martin SS, Polster BM. Rapid detection of an ABT-737-sensitive primed for death state in cells using microplate-based respirometry. PLoS One. 2012;7(8):e42487. doi: 10.1371/journal.pone.0042487. Epub 2012 Aug 3. PMID: 22880001; PMCID: PMC3411749.
In vivo protocol: 1. Sun XP, Zhang X, He C, Qiao H, Jiang X, Jiang H, Sun X. ABT-737 synergizes with arsenic trioxide to induce apoptosis of gastric carcinoma cells in vitro and in vivo. J Int Med Res. 2012;40(4):1251-64. doi: 10.1177/147323001204000404. PMID: 22971477. 2. Konopleva M, Contractor R, Tsao T, Samudio I, Ruvolo PP, Kitada S, Deng X, Zhai D, Shi YX, Sneed T, Verhaegen M, Soengas M, Ruvolo VR, McQueen T, Schober WD, Watt JC, Jiffar T, Ling X, Marini FC, Harris D, Dietrich M, Estrov Z, McCubrey J, May WS, Reed JC, Andreeff M. Mechanisms of apoptosis sensitivity and resistance to the BH3 mimetic ABT-737 in acute myeloid leukemia. Cancer Cell. 2006 Nov;10(5):375-88. doi: 10.1016/j.ccr.2006.10.006. PMID: 17097560.

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ABT-737

10.0mg / USD 150.0


Additional Information