RA-XI

CAT: 0804-HY-N10793-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-N10793-01Size:1 mg

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Description

RA-XI is a bicyclic hexapeptide isolated from Rubia cordifolia with antitumour activity[1].

CAS Number

143277-27-4

UNSPSC

12352005

Target

Others

Type

Natural Products

Related Pathways

Others

Applications

Cancer-programmed cell death

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/ra-xi.html

Purity

96.45

Solubility

10 mM in DMSO

Smiles

OC1=CC=C2C=C1OC3=CC=C(CC(N4C)C(N(C(C(NC(C(NC(CCC(O)=O)C(N(C(C(NC(C)C4=O)=O)CC5=CC=C(OC)C=C5)C)=O)=O)C)=O)C2)C)=O)C=C3

Molecular Formula

C42H50N6O11

Molecular Weight

814.88

References & Citations

[1]Hiroshi MORITA, et al. NEW ANTITUMOR BICYCLIC HEXAPEPTIDES, RA-XI, -XII, -XIII AND -XIV FROM RUBIA CORDIFOLIA.Chemical and Pharmaceutical Bulletin.

Shipping Conditions

Blue Ice

Storage Conditions

-20°C, 3 years (Powder)

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

CID 131676023

CAS Number	143277-27-4
PubChem CID	131676023
IUPAC Name	3-[24-hydroxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-2,5,8,11,14,30-hexaoxo-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaen-7-yl]propanoic acid
Molecular Formula	C42H50N6O11
Molecular Weight	814.9
XLogP	2.5
Topological Polar Surface Area	224
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	6
Heavy Atom Count	59
Formal Charge	0
Complexity	1530

SMILES

CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)O)C)C)CC5=CC=C(C=C5)OC)C)CCC(=O)O

InChI

InChI=1S/C42H50N6O11/c1-23-37(52)45-30(16-18-36(50)51)41(56)46(3)31(19-25-7-12-28(58-6)13-8-25)39(54)44-24(2)40(55)48(5)33-20-26-9-14-29(15-10-26)59-35-22-27(11-17-34(35)49)21-32(38(53)43-23)47(4)42(33)57/h7-15,17,22-24,30-33,49H,16,18-21H2,1-6H3,(H,43,53)(H,44,54)(H,45,52)(H,50,51)

InChIKey

JYSZOVOBXGDGIQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 143277-27-4

CID: 131676023

Formula: C42H50N6O11

MW: 814.9

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	814.9
XLogP3	2.5
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	6
Exact Mass	814.35375643
Monoisotopic Mass	814.35375643
Topological Polar Surface Area	224 Å²
Heavy Atom Count	59
Formal Charge	0
Complexity	1530
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
MBS5791334	RA-XI
BA6925-5	RA-2
T125868-01	RA-XII
MBS3611969-01	RA-9
7129/50	RA 2
31033	Kylt® RA
TRC-R550025-100MG	RA-1008
MBS5775758	RA VII
BUP06393-01	RA-839
GTR19249242-01	RA-PR058

RA-XI

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