Products for Research Use Only
RegisterLogin

Antitumor agent-149

CAT: 0804-HY-161425Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-161425Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Antitumor agent-149 (Compound 3) is an analogue of Echinomycin. Antitumor agent-149 inhibits HIF-1α-mediated transcription. Antitumor agent-149 induces cancer cell apoptosis. Antitumor agent-149 inhibits tumor growth in SW620 xenograft mice model[1].
CAS Number
2368983-54-2
UNSPSC
12352005
Target
Apoptosis
Type
Reference compound
Related Pathways
Apoptosis
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/antitumor-agent-149.html
Solubility
10 mM in DMSO
Smiles
O=C(N[C@@H](C(N[C@H](C(N([C@@H](CSC1)C(N([C@H]2C(C)C)C)=O)C)=O)C)=O)COC([C@H](C(C)C)N(C([C@H]1N(C([C@H](C)NC([C@H](NC(C3=NC(C=CC=C4)=C4C=C3O)=O)COC2=O)=O)=O)C)=O)C)=O)C5=NC(C=CC=C6)=C6C=C5O
Molecular Formula
C52H64N10O14S
Molecular Weight
1085.19
References & Citations
[1]Kojima K, et al. Synthesis and biological evaluation of echinomycin analogues as potential colon cancer agent. Sci Rep. 2024 Apr 1;14 (1) :7628.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Antitumor agent-149
CAS Number2368983-54-2
PubChem CID155766339
IUPAC Name3-hydroxy-N-[(1R,4S,7R,11S,14R,17S,20R,24S)-20-[(3-hydroxyquinoline-2-carbonyl)amino]-2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoline-2-carboxamide
Molecular FormulaC52H64N10O14S
Molecular Weight1085.2
XLogP4.3
Topological Polar Surface Area342
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count17
Rotatable Bond Count6
Heavy Atom Count77
Formal Charge0
Complexity2060
SMILES
C[C@H]1C(=O)N([C@H]2CSC[C@@H](C(=O)N([C@H](C(=O)OC[C@H](C(=O)N1)NC(=O)C3=NC4=CC=CC=C4C=C3O)C(C)C)C)N(C(=O)[C@@H](NC(=O)[C@@H](COC(=O)[C@@H](N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6C=C5O)C)C)C
InChI
InChI=1S/C52H64N10O14S/c1-25(2)41-51(73)75-21-33(57-45(67)39-37(63)19-29-15-11-13-17-31(29)55-39)43(65)53-28(6)48(70)60(8)36-24-77-23-35(49(71)61(41)9)59(7)47(69)27(5)54-44(66)34(22-76-52(74)42(26(3)4)62(10)50(36)72)58-46(68)40-38(64)20-30-16-12-14-18-32(30)56-40/h11-20,25-28,33-36,41-42,63-64H,21-24H2,1-10H3,(H,53,65)(H,54,66)(H,57,67)(H,58,68)/t27-,28-,33+,34+,35-,36-,41-,42-/m0/s1
InChIKey
FWTYYWFANNCACL-KOPQPNPPSA-N
Chemical Structure
2D Structure
2D structure of Antitumor agent-149
CAS: 2368983-54-2
CID: 155766339
Formula: C52H64N10O14S
MW: 1085.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1085.2
XLogP34.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count17
Rotatable Bond Count6
Exact Mass1084.43241793
Monoisotopic Mass1084.43241793
Topological Polar Surface Area342 Ų
Heavy Atom Count77
Formal Charge0
Complexity2060
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-162128Antitumor agent-130
HY-155034Antitumor agent-102
HY-151292Antitumor agent-74
HY-116447-01Antitumor agent-159
HY-149717Antitumor agent-122
HY-115948Antitumor agent-46
HY-152537Antitumor agent-84
HY-128776Antitumor agent-19
HY-163691Antitumor agent-163
HY-N8975Antitumor agent-137

Alternative Products

CatalogName
T85707-01Antitumor agent-149
M26058-01Antitumor agent-19
T10342-01Antitumor agent-2
T211211-01Antitumor agent-203
T209984-01Antitumor agent-156
T209806-01Antitumor agent-151
T209096-01Antitumor agent-131
T206452-01Antitumor agent-200
T205444-01Antitumor agent-198
T200846-01Antitumor agent-188

Popular Products