SML1603
BAY-598
≥98% (HPLC)
Manufacturer: Sigma Aldrich
Synonym(S): (S)-N-[1-{N′-Cyano-N-[3-(difluoromethoxy)phenyl]carbamimidoyl}-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-N-ethyl-2-hydroxyacetamide
Select a Size
| Pack Size | SKU | Availability | Price |
|---|---|---|---|
| 5 MG | SML1603-5-MG | In Stock | ₹ 29,227.50 |
| 25 MG | SML1603-25-MG | In Stock | ₹ 1,14,366.13 |
SML1603 - 5 MG
In Stock
Quantity
1
Base Price: ₹ 29,227.50
GST (18%): ₹ 5,260.95
Total Price: ₹ 34,488.45
Quality Level
100
Assay
≥98% (HPLC)
form
powder
optical activity
[α]/D -85 to -95°, c = 1 in methanol
color
white to beige
solubility
DMSO: 25 mg/mL, clear
storage temp.
2-8°C
SMILES string
ClC1=C(Cl)C=C(C2=NN(/C(NC3=CC=CC(OC(F)F)=C3)=N\C#N)C[C@@H]2N(CC)C(CO)=O)C=C1
InChI
1S/C23H21Cl2F2N5O3/c1-2-16(20(34)11-33)17-10-32(31-21(17)13-6-7-18(24)19(25)8-13)23(29-12-28)30-14-4-3-5-15(9-14)35-22(26)27/h3-9,16-17,22,33H,2,10-11H2,1H3,(H,29,30)/t16?,17-/m1/s1
InChI key
LOHNYXGTWKNYDF-ZYMOGRSISA-N
Related Products
Description
- Biochem/physiol Actions: BAY-598 is a potent, peptide-competitive chemical probe for SET and MYND domain-containing protein 2 (SMYD2), a lysine methyl transferase inhibitor that dimethylates histone H3K36 and methylates histone H3K4. SMYD2 also methylates Lys-370 of p53, leading to decreased DNA-binding activity. SMYD2 is over-expressed in several cancers with poor prognosis. BAY-598 inhibits in vitro methylation of p53K370 with an IC50 value of 27 nM and in cells with an IC50 value < 1 μM. BAY-598 is more than 100-fold selective over other histone methyltransferases and non-epigenetic targets. BAY-598 can be used with in vivo experiments. For full characterization details, please visit the BAY-598 probe summary on the Structural Genomics Consortium (SGC) website.BAY-369 is the negative control for the active probe, BAY-598. To request a sample of the negative control from the SGC, click here.To learn about other SGC chemical probes for epigenetic targets, visit sigma.com/sgc
- Features and Benefits: BAY-598 is an epigenetic chemical probe available through a partnership with the Structural Genomics Consortium (SGC). To learn more and view other SGC epigenetic probes, visit sigma.com/SGC.
- Other Notes: BAY-598 has been expertly reviewed and recommended by the Chemical Probes Portal. For more information, please visit the BAY-598 probe summary on the Chemical Probes Portal website.
SAFETY INFORMATION
Pictograms
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Compare Similar Items
Show Difference
Quality Level: 100
Assay: ≥98% (HPLC)
form: powder
optical activity: [α]/D -85 to -95°, c = 1 in methanol
color: white to beige
solubility: DMSO: 25 mg/mL, clear
storage temp.: 2-8°C
SMILES string: ClC1=C(Cl)C=C(C2=NN(/C(NC3=CC=CC(OC(F)F)=C3)=N\C#N)C[C@@H]2N(CC)C(CO)=O)C=C1
InChI: 1S/C23H21Cl2F2N5O3/c1-2-16(20(34)11-33)17-10-32(31-21(17)13-6-7-18(24)19(25)8-13)23(29-12-28)30-14-4-3-5-15(9-14)35-22(26)27/h3-9,16-17,22,33H,2,10-11H2,1H3,(H,29,30)/t16?,17-/m1/s1
InChI key: LOHNYXGTWKNYDF-ZYMOGRSISA-N
Quality Level:
100
Assay:
≥98% (HPLC)
form:
powder
optical activity:
[α]/D -85 to -95°, c = 1 in methanol
color:
white to beige
solubility:
DMSO: 25 mg/mL, clear
storage temp.:
2-8°C
SMILES string:
ClC1=C(Cl)C=C(C2=NN(/C(NC3=CC=CC(OC(F)F)=C3)=N\C#N)C[C@@H]2N(CC)C(CO)=O)C=C1
InChI:
1S/C23H21Cl2F2N5O3/c1-2-16(20(34)11-33)17-10-32(31-21(17)13-6-7-18(24)19(25)8-13)23(29-12-28)30-14-4-3-5-15(9-14)35-22(26)27/h3-9,16-17,22,33H,2,10-11H2,1H3,(H,29,30)/t16?,17-/m1/s1
InChI key:
LOHNYXGTWKNYDF-ZYMOGRSISA-N
Quality Level: 100
Assay: ≥97% (HPLC)
form: powder
optical activity: __
color: white to beige
solubility: DMSO: 2 mg/mL, clear (warmed)
storage temp.: 2-8°C
SMILES string: CN1C=C(C2=CC(OC)=C(CN(C)C)C=C2OC)C(C=CN=C3)=C3C1=O
InChI: 1S/C20H23N3O3/c1-22(2)11-13-8-19(26-5)15(9-18(13)25-4)17-12-23(3)20(24)16-10-21-7-6-14(16)17/h6-10,12H,11H2,1-5H3
InChI key: BJFSUDWKXGMUKA-UHFFFAOYSA-N
Quality Level:
100
Assay:
≥97% (HPLC)
form:
powder
optical activity:
__
color:
white to beige
solubility:
DMSO: 2 mg/mL, clear (warmed)
storage temp.:
2-8°C
SMILES string:
CN1C=C(C2=CC(OC)=C(CN(C)C)C=C2OC)C(C=CN=C3)=C3C1=O
InChI:
1S/C20H23N3O3/c1-22(2)11-13-8-19(26-5)15(9-18(13)25-4)17-12-23(3)20(24)16-10-21-7-6-14(16)17/h6-10,12H,11H2,1-5H3
InChI key:
BJFSUDWKXGMUKA-UHFFFAOYSA-N
Quality Level: 100
Assay: ≥98% (HPLC)
form: powder
optical activity: __
color: white to beige
solubility: H2O: 2 mg/mL, clear (warmed)
storage temp.: 2-8°C
SMILES string: [H]Cl.CN1C(C2=CC(C=CC=C3)=C3N2CC4CC4)=NC5=C1C(OC)=CC(C(N6C[C@H](N)[C@H](O)CC6)=O)=C5
InChI: 1S/C27H31N5O3.ClH/c1-30-25-20(11-18(13-24(25)35-2)27(34)31-10-9-23(33)19(28)15-31)29-26(30)22-12-17-5-3-4-6-21(17)32(22)14-16-7-8-16;/h3-6,11-13,16,19,23,33H,7-10,14-15,28H2,1-2H3;1H/t19-,23+;/m0./s1
InChI key: MULKOGJHUZTANI-ADMBKAPUSA-N
Quality Level:
100
Assay:
≥98% (HPLC)
form:
powder
optical activity:
__
color:
white to beige
solubility:
H2O: 2 mg/mL, clear (warmed)
storage temp.:
2-8°C
SMILES string:
[H]Cl.CN1C(C2=CC(C=CC=C3)=C3N2CC4CC4)=NC5=C1C(OC)=CC(C(N6C[C@H](N)[C@H](O)CC6)=O)=C5
InChI:
1S/C27H31N5O3.ClH/c1-30-25-20(11-18(13-24(25)35-2)27(34)31-10-9-23(33)19(28)15-31)29-26(30)22-12-17-5-3-4-6-21(17)32(22)14-16-7-8-16;/h3-6,11-13,16,19,23,33H,7-10,14-15,28H2,1-2H3;1H/t19-,23+;/m0./s1
InChI key:
MULKOGJHUZTANI-ADMBKAPUSA-N
Quality Level: 100
Assay: ≥98% (HPLC)
form: powder
optical activity: [α]/D -66 to -76°, c = 0.5 in methanol
color: white to beige
solubility: DMSO: 10 mg/mL, clear
storage temp.: 2-8°C
SMILES string: O=C(C1=CC=CN1)N2C[C@@](C(N)=O)(C)C(N(CC3=CC=C(F)C=C3)N=C4C(NC5=CC(C)=C(OC)C(C)=C5)=O)=C4C2
InChI: __
InChI key: __
Quality Level:
100
Assay:
≥98% (HPLC)
form:
powder
optical activity:
[α]/D -66 to -76°, c = 0.5 in methanol
color:
white to beige
solubility:
DMSO: 10 mg/mL, clear
storage temp.:
2-8°C
SMILES string:
O=C(C1=CC=CN1)N2C[C@@](C(N)=O)(C)C(N(CC3=CC=C(F)C=C3)N=C4C(NC5=CC(C)=C(OC)C(C)=C5)=O)=C4C2
InChI:
__
InChI key:
__