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Home Other Building Blocks Hg-9-91-01

Hg-9-91-01

CAS No.:
1456858-58-4
Catalog Number:
AG00ABKC
Molecular Formula:
C32H37N7O3
Molecular Weight:
567.6813
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$194
- +
5mg
98%
1 week
United States
$454
- +
10mg
98%
1 week
United States
$658
- +
50mg
98%
1 week
United States
$1279
- +
100mg
98%
1 week
United States
$1946
- +
Product Description
Catalog Number:
AG00ABKC
Chemical Name:
Hg-9-91-01
CAS Number:
1456858-58-4
Molecular Formula:
C32H37N7O3
Molecular Weight:
567.6813
MDL Number:
MFCD28167714
IUPAC Name:
1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea
InChI:
InChI=1S/C32H37N7O3/c1-22-7-6-8-23(2)31(22)36-32(40)39(27-14-13-26(41-4)19-28(27)42-5)30-20-29(33-21-34-30)35-24-9-11-25(12-10-24)38-17-15-37(3)16-18-38/h6-14,19-21H,15-18H2,1-5H3,(H,36,40)(H,33,34,35)
InChI Key:
UYUHRKLITDJEHB-UHFFFAOYSA-N
SMILES:
COc1cc(OC)ccc1N(C(=O)Nc1c(C)cccc1C)c1ncnc(c1)Nc1ccc(cc1)N1CCN(CC1)C
Properties
Complexity:
825  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
567.296g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
567.694g/mol
Monoisotopic Mass:
567.296g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  
Literature
Title Journal
SIK inhibition in human myeloid cells modulates TLR and IL-1R signaling and induces an anti-inflammatory phenotype. Journal of leukocyte biology 20160501
Phosphorylation of CRTC3 by the salt-inducible kinases controls the interconversion of classically activated and regulatory macrophages. Proceedings of the National Academy of Sciences of the United States of America 20121016
Properties