Pz 285

CAT: 0013-GTR19273304-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19273304-02Size:10 mg

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Description

Pz 285 is an anticancer agent. It significantly inhibits the viability of MDA-MB-231 breast cancer cells with an IC50 of 15.0 μM. Pz 285 also demonstrates strong antitumor activity in a mouse xenograft model using highly lung-metastatic MDA-MB-231 LM24 Her2+ breast cancer cells. It is applicable for breast cancer research, particularly in studies of metastatic breast cancer.

CAS Number

1400998-20-0

Smiles

O (CCO) C=1C=2C (=C3NC2NC=4C5=C (C (N4) =NC=6C7=C (C (=NC8=NC (=N3) C9=C8O[C@] (OC) (C) [C@@] (OC) (C) O9) N6) O[C@] (OC) (C) [C@@] (OC) (C) O7) O[C@] (OC) (C) [C@@] (OC) (C) O5) C (OCCO) =CC1

Molecular Formula

C42H50N8O16

Molecular Weight

922.9

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

2-[[(6R,7R,15R,16R,24R,25R)-35-(2-hydroxyethoxy)-6,7,15,16,24,25-hexamethoxy-6,7,15,16,24,25-hexamethyl-5,8,14,17,23,26-hexaoxa-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),10,12,18,20,22(27),28,30(37),31,33,35-tridecaen-32-yl]oxy]ethanol

CAS Number	1400998-20-0
PubChem CID	102580048
IUPAC Name	2-[[(6R,7R,15R,16R,24R,25R)-35-(2-hydroxyethoxy)-6,7,15,16,24,25-hexamethoxy-6,7,15,16,24,25-hexamethyl-5,8,14,17,23,26-hexaoxa-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),10,12,18,20,22(27),28,30(37),31,33,35-tridecaen-32-yl]oxy]ethanol
Molecular Formula	C42H50N8O16
Molecular Weight	922.9
XLogP	1.8
Topological Polar Surface Area	279
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	12
Heavy Atom Count	66
Formal Charge	0
Complexity	1710

SMILES

C[C@@]1([C@](OC2=C(O1)C3=NC4=C5C(=C(N4)N=C6C7=C(C(=N6)N=C8C9=C(C=CC(=C9C(=N8)N=C2N3)OCCO)OCCO)O[C@@]([C@](O7)(C)OC)(C)OC)O[C@@]([C@](O5)(C)OC)(C)OC)(C)OC)OC

InChI

InChI=1S/C42H50N8O16/c1-37(53-7)39(3,55-9)63-25-23(61-37)31-44-29-21-19(59-17-15-51)13-14-20(60-18-16-52)22(21)30(43-29)45-32-24-26(64-40(4,56-10)38(2,54-8)62-24)34(47-32)49-36-28-27(35(50-36)48-33(25)46-31)65-41(5,57-11)42(6,58-12)66-28/h13-14,51-52H,15-18H2,1-12H3,(H2,43,44,45,46,47,48,49,50)/t37-,38-,39-,40-,41-,42-/m1/s1

InChIKey

QYOMZRNTAXOQRM-GIEDQAFWSA-N

Chemical Structure

2D Structure

CAS: 1400998-20-0

CID: 102580048

Formula: C42H50N8O16

MW: 922.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	922.9
XLogP3	1.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	12
Exact Mass	922.33447754
Monoisotopic Mass	922.33447754
Topological Polar Surface Area	279 Å²
Heavy Atom Count	66
Formal Charge	0
Complexity	1710
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Pz 285

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