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937272-79-2,MFCD22572772
Catalog No.:AA003A1H

937272-79-2 | (16E)-11-[2-(1-Pyrrolidinyl)ethoxy]-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2,4,6(27),8,10,12(26),16,21,23-decaene

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1mg
97%
in stock  
$19.00   $14.00
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2mg
97%
in stock  
$27.00   $19.00
- +
5mg
97%
in stock  
$53.00   $37.00
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1000mg
98% by HPLC
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$8,787.00   $6,151.00
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  • Technical Information
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Technical Information
Catalog Number:
AA003A1H
Chemical Name:
(16E)-11-[2-(1-Pyrrolidinyl)ethoxy]-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2,4,6(27),8,10,12(26),16,21,23-decaene
CAS Number:
937272-79-2
Molecular Formula:
C28H32N4O3
Molecular Weight:
472.5787
MDL Number:
MFCD22572772
SMILES:
C1/C=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nc(c3cc(CO1)ccc3)ccn2
Properties
Computed Properties
 
Complexity:
644  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
3.8  

Literature

Title: Current outlook on molecular pathogenesis and treatment of myeloproliferative neoplasms.

Journal: Molecular diagnosis & therapy 20121001

Title: JAK2 inhibitors and their impact in myeloproliferative neoplasms.

Journal: Hematology (Amsterdam, Netherlands) 20120401

Title: Discovery of the macrocycle (9E)-15-(2-(pyrrolidin-1-yl)ethoxy)-7,12,25-trioxa-19,21,24-triaza-tetracyclo[18.3.1.1(2,5).1(14,18)]hexacosa-1(24),2,4,9,14(26),15,17,20,22-nonaene (SB1578), a potent inhibitor of janus kinase 2/fms-like tyrosine kinase-3 (JAK2/FLT3) for the treatment of rheumatoid arthritis.

Journal: Journal of medicinal chemistry 20120322

Title: Novel targeted therapy for acute myeloid leukemia with a dual FLT3 and JAK2 inhibitor.

Journal: Acta pharmacologica Sinica 20120201

Title: SB1518, a novel macrocyclic pyrimidine-based JAK2 inhibitor for the treatment of myeloid and lymphoid malignancies.

Journal: Leukemia 20111101

Title: Discovery of the macrocycle 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene (SB1518), a potent Janus kinase 2/fms-like tyrosine kinase-3 (JAK2/FLT3) inhibitor for the treatment of myelofibrosis and lymphoma.

Journal: Journal of medicinal chemistry 20110714

Title: Hart S, et al. SB1518, a novel macrocyclic pyrimidine-based JAK2 inhibitor for the treatment of myeloid and lymphoid malignancies. Leukemia. 2011 Nov;25(11):1751-9.

Title: Hart S, et al. Pacritinib (SB1518), a JAK2/FLT3 inhibitor for the treatment of acute myeloid leukemia. Blood Cancer J. 2011 Nov;1(11):e44.

Title: William AD, et al. Discovery of the macrocycle 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo9.3.1.1(2,6).1(8,12)heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene (SB1518), a potent Janus kinase 2/fms-like tyrosine kinase-3 (JA

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Tags:937272-79-2 Molecular Formula|937272-79-2 MDL|937272-79-2 SMILES|937272-79-2 (16E)-11-[2-(1-Pyrrolidinyl)ethoxy]-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2,4,6(27),8,10,12(26),16,21,23-decaene