UM-171

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H27N9
Molecular Weight	453.5422
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0
Stereo Comments	Substituted ring

SHOW SMILES / InChI

Structure Search

SMILES

CN1N=NC(=N1)C2=CC3=C(C=C2)C4=C(N[C@H]5CC[C@H](N)CC5)N=C(CC6=CC=CC=C6)N=C4N3

InChI

InChIKey=AZXXGVPWWKWGAE-IYARVYRRSA-N

InChI=1S/C25H27N9/c1-34-32-23(31-33-34)16-7-12-19-20(14-16)28-25-22(19)24(27-18-10-8-17(26)9-11-18)29-21(30-25)13-15-5-3-2-4-6-15/h2-7,12,14,17-18H,8-11,13,26H2,1H3,(H2,27,28,29,30)/t17-,18-

HIDE SMILES / InChI

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/25237102
Curator's Comment: description was created based on several sources, including http://www.google.com/patents/WO2013110198A1 | https://www.ncbi.nlm.nih.gov/pubmed/28330619 | https://www.ncbi.nlm.nih.gov/pubmed/27337543 | https://clinicaltrials.gov/ct2/show/study/NCT02668315

UM171 is a potent agonist of human hematopoietic stem cell renewal, independently of AhR suppression. UM171 act differently than other small molecule stimulators of hematopoiesis, such as the aryl hydrocarbon receptor (AhR) antagonist StemRegenin 1 (SR1). Addition of UM171 to cultures containing SR1 and cytokines further enhances the ex vivo expansion of normal HSCs, including CD34+ cells.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Hematopoietic Stem Cell Differentiation 3 Target ID: WP2849 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27337543	Agonist 2678

Conditions

Condition	Modality	Highest Phase	Product
Chronic lymphocytic leukemia 59 Sources: http://www.google.com/patents/WO2013110198A1	Primary	Basic research	Unknown Approved Use Unknown
Chronic myeloid leukemia 25 Sources: http://www.google.com/patents/WO2013110198A1	Primary	Basic research	Unknown Approved Use Unknown
Acute lymphoblastic leukemia 27 Sources: http://www.google.com/patents/WO2013110198A1	Primary	Basic research	Unknown Approved Use Unknown
Acute myeloid leukemia 136 Sources: http://www.google.com/patents/WO2013110198A1	Primary	Basic research	Unknown Approved Use Unknown
Bone marrow failure 2 Sources: http://www.google.com/patents/WO2013110198A1	Primary	Basic research	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
Gram-Scale Laboratory Synthesis of UM171, a Potent Agonist of Human Hematopoietic Stem Cell Self-Renewal.	2016 Nov 4	27337543

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

CD34+ cells isolated from cord blood (CB) were cultured in a fed-batch (FB) system for 12 days in the presence of cytokines and UM171 [35 nM], SR1 [750 nM] or the combination of both UM171 [35 nM] and SR1 [500 nM].

Name

Type

Language

UM-171

Code

English

((1R, 4R)-N1-(2-BENZYL-7-(2-METHYL-2H-TETRAZOL-5-YL)-9H-PYRIMIDO(4,5-B)INDOL-4-YL)CYCLOHEXANE-1,4-DIAMINE

Systematic Name

English

1,4-CYCLOHEXANEDIAMINE, N1-(7-(2-METHYL-2H-TETRAZOL-5-YL)-2-(PHENYLMETHYL)-9H-PYRIMIDO(4,5-B)INDOL-4-YL)-, TRANS-

Systematic Name

English

TRANS-N1-(7-(2-METHYL-2H-TETRAZOL-5-YL)-2-(PHENYLMETHYL)-9H-PYRIMIDO(4,5-B)INDOL-4-YL)-1,4-CYCLOHEXANEDIAMINE

Systematic Name

English

Code System Code Type Description

SMS_ID

300000009941

Created by admin on Sat Dec 16 14:13:03 GMT 2023 , Edited by admin on Sat Dec 16 14:13:03 GMT 2023

PRIMARY

CAS

1448724-09-1

Created by admin on Sat Dec 16 14:13:03 GMT 2023 , Edited by admin on Sat Dec 16 14:13:03 GMT 2023

PRIMARY

FDA UNII

8XZ4J0KS9C

Created by admin on Sat Dec 16 14:13:03 GMT 2023 , Edited by admin on Sat Dec 16 14:13:03 GMT 2023

PRIMARY

EPA CompTox

DTXSID201108994

Created by admin on Sat Dec 16 14:13:03 GMT 2023 , Edited by admin on Sat Dec 16 14:13:03 GMT 2023

PRIMARY

ACTIVE MOIETY


					8XZ4J0KS9C

UM-171

SALT/SOLVATE (PARENT)


					9VB5UBJ45H

UM-171 DIHYDROBROMIDE DIHYDRATE

Details

SMILES

InChI

Originator

Approval Year

Targets

Conditions

Approved Use

Approved Use

Approved Use

Approved Use

Approved Use

PubMed

Patents

Sample Use Guides